Dihydroconiferyl alcohol

C₁₀H₁₄O₃CAS 2305-13-7182.22 g/mol

Open in Covalent MOL file

Alcohol Ether Phenol

Properties

Molecular formula: C₁₀H₁₄O₃
Molar mass: 182.22 g/mol
Exact mass: 182.0943 Da
Melting point: 65 °C
Boiling point: 196 °C (at 16 Torr)
logP: 1.33Crippen estimate
Polar surface area: 49.7 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 4

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

2305-13-7

SMILES

COc1cc(CCCO)ccc1O

InChIKey

MWOMNLDJNQWJMK-UHFFFAOYSA-N

InChI

InChI=1S/C10H14O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h4-5,7,11-12H,2-3,6H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

18 names · show all

Benzenepropanol, 4-hydroxy-3-methoxy-
1-Propanol, 3-(4-hydroxy-3-methoxyphenyl)-
4-Hydroxy-3-methoxybenzenepropanol
Coniferyl alcohol, dihydro-
3-(p-Hydroxy-m-methoxyphenyl)-1-propanol
4-(3-Hydroxypropyl)-2-methoxyphenol
3-Guaiacyl-1-propanol
Guaiacyl-3-propanol
1-Guaiacyl-3-propanol
4-(γ-Hydroxypropyl)-2-methoxyphenol
3-(4-Hydroxy-3-methoxyphenyl)-1-propanol
3-(3-Methoxy-4-hydroxyphenyl)propanol
3-(4-Hydroxy-3-methoxyphenyl)propanol
NSC 4591
DHCA
3-(3-Methoxy-4-hydroxyphenyl)-1-propanol
4-Propanolguaiacol
4-(3-Hydroxypropyl)guaiacol

Work with Dihydroconiferyl alcohol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Homovanillyl alcohol2380-78-182 % similar 4-Propylguaiacol2785-87-767 % similar Vanillyl alcohol498-00-066 % similar 3-Methoxytyramine554-52-965 % similar 4-Ethylguaiacol2785-89-961 % similar 3-Methoxy-4-hydroxyphenylethylamine hydrochloride1477-68-560 % similar (4-Hydroxy-3-methoxyphenyl)acetonitrile4468-59-159 % similar 2-(3,4-Dimethoxyphenyl)ethanol7417-21-258 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1,1-Cyclohexane diacetic anhydride1010-26-0 3-(Benzyloxy)-1,2-propanediol13071-59-5 Vanillyl ethyl ether13184-86-6 2-(Phenylmethoxy)-1,3-propanediol14690-00-7 3-(Benzyloxy)propane-1,2-diol17325-85-8 2-Acetyldimedone1755-15-3 Anisaldehyde dimethyl acetal2186-92-7 Furfuryl pentanoate36701-01-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook