3-Phenyl-2-propyn-1-ol

C₉H₈OCAS 1504-58-1132.16 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₈O
Molar mass: 132.16 g/mol
Exact mass: 132.0575 Da
Density: 1.07 g/mL (at 18 °C)
Melting point: 119–122 °C
Boiling point: 137–138 °C
logP: 1.03Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.7% of notifiers

Aggregated from 43 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

1504-58-1

SMILES

OCC#Cc1ccccc1

InChIKey

NITUNGCLDSFVDL-UHFFFAOYSA-N

InChI

InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,8H2

Weigh it out

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

Names and synonyms

11 names

2-Propyn-1-ol, 3-phenyl-
2-Propin-1-ol, 3-phenyl-
3-Phenyl-2-propynol
3-Phenylpropargyl alcohol
3-Phenyl-2-propynyl alcohol
Phenylpropargyl alcohol
(Hydroxymethyl)phenylacetylene
1-Hydroxy-3-phenyl-2-propyne
1-Phenyl-3-hydroxyprop-1-yne
3-Phenyl-2-propyne-1-ol
(3-Hydroxy-1-propyn-1-yl)benzene

Work with 3-Phenyl-2-propyn-1-ol

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-(4-Chloro-phenyl)-prop-2-yn-1-ol37614-57-659 % similar 3-(3-Bromophenyl)prop-2-yn-1-ol170859-80-057 % similar 1-Phenyl-3-chloro-1-propyne3355-31-554 % similar 1-Phenyl-1-butyne622-76-454 % similar Diphenylacetylene501-65-552 % similar 1,4-Bis(2-phenylethynyl)benzene1849-27-050 % similar 1-Pentyn-1-ylbenzene4250-81-150 % similar Diphenylbutadiyne886-66-848 % similar

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

Same formula

Cinnamaldehyde104-55-2 4-Carboxaldehydebenzocyclobutene112892-88-3 (2-Propyn-1-yloxy)benzene13610-02-1 Cinnamaldehyde14371-10-9 4-Vinylbenzaldehyde1791-26-0 3-Methylbenzofuran21535-97-7 α-Ethynylbenzenemethanol4187-87-5 Atropaldehyde4432-63-7

Elsewhere

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