Naphthalen-1-ethanol

C₁₂H₁₂OCAS 773-99-9172.23 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₁₂O
Molar mass: 172.23 g/mol
Exact mass: 172.0888 Da
Melting point: 62 °C
Boiling point: 125 °C (at 0.2 Torr)
logP: 2.37Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Hazards

Warning

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

Aggregated from 6 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

773-99-9

SMILES

OCCc1cccc2ccccc12

InChIKey

RXWNCMHRJCOWDK-UHFFFAOYSA-N

InChI

InChI=1S/C12H12O/c13-9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,13H,8-9H2

Weigh it out

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

Names and synonyms

7 names

1-Naphthaleneethanol
2-(1-Naphthyl)ethanol
2-(α-Naphthyl)ethanol
1-(2-Hydroxyethyl)naphthalene
NSC 28342
2-Naphthalen-1-yl-ethanol
2-(Naphthalen-1-yl)ethan-1-ol

Work with Naphthalen-1-ethanol

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

1,2-Di(alpha-naphthyl)ethane15374-45-571 % similar 1-Naphthalenemethanol4780-79-463 % similar 1-(2-Bromoethyl)naphthalene13686-49-259 % similar 2-Chlorobenzeneethanol19819-95-555 % similar 3-(1-Naphthyl)-propionic acid3243-42-353 % similar 2-Bromobenzeneethanol1074-16-452 % similar 1-Ethylnaphthalene1127-76-052 % similar 1-Naphthalenemethanamine118-31-052 % similar

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

Same formula

2-Naphthaleneethanol1485-07-0 1-(Naphthalen-1-yl)ethan-1-ol15914-84-8 (S)-(-)-Alpha-methyl-2-naphthalenemethanol27544-18-9 Alpha-Methylnaphthalene-2-methanol40295-80-5 (R)-(+)-Alpha-methyl-1-naphthalenemethanol42177-25-3 1-Ethoxynaphthalene5328-01-8 Alpha-Methylnaphthalene-2-methanol7228-47-9 2-Ethoxynaphthalene93-18-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook