1-(2-prop-2-enylphenoxy)propan-1-ol

C12H16O2 — CID 70371312

IUPAC1-(2-prop-2-enylphenoxy)propan-1-ol
SMILESC=CCc1ccccc1OC(O)CC
InChIInChI=1S/C12H16O2/c1-3-7-10-8-5-6-9-11(10)14-12(13)4-2/h3,5-6,8-9,12-13H,1,4,7H2,2H3
InChIKeyRCQJHGSVWIGFCW-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.52
Rot. Bonds5

About 1-(2-prop-2-enylphenoxy)propan-1-ol

1-(2-prop-2-enylphenoxy)propan-1-ol (PubChem CID 70371312) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-(2-prop-2-enylphenoxy)propan-1-ol.

Molecular Properties

Compound Name1-(2-prop-2-enylphenoxy)propan-1-ol
PubChem CID70371312
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name1-(2-prop-2-enylphenoxy)propan-1-ol
SMILESC=CCc1ccccc1OC(O)CC
InChIInChI=1S/C12H16O2/c1-3-7-10-8-5-6-9-11(10)14-12(13)4-2/h3,5-6,8-9,12-13H,1,4,7H2,2H3
InChIKeyRCQJHGSVWIGFCW-UHFFFAOYSA-N
XLogP2.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(2-prop-2-enylphenoxy)butanoate
CID 59918636
2-(2-prop-2-enylphenoxy)propanenitrile
CID 13355012
(3R)-3-(2-prop-2-enylphenoxy)butanoic acid
CID 103547954
propane-1,2,3-triol;1-prop-2-enyl-2-(2-prop-2-enylphenoxy)benzene
CID 70576307
ethoxyethane;1-prop-2-enyl-2-(2-prop-2-enylphenoxy)benzene
CID 154957356
[(2S)-2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-dimethyl-propan-2-ylazanium
CID 6543364
1-(4-methylphenyl)-2-(2-prop-2-enylphenoxy)propan-1-one
CID 62034186
CID 15477926
CID 15477926
methyl 4-[4-[4-methoxy-4-oxo-3-(2-prop-2-enylphenoxy)butyl]phenyl]-2-(2-prop-2-enylphenoxy)butanoate
CID 22954472
1-prop-2-enyl-2-propylperoxybenzene
CID 87336505
(2-prop-2-enylphenyl) acetate;dihydrobromide
CID 70043796
N-[2-(2-prop-2-enylphenoxy)ethyl]butan-2-amine
CID 2934658

Frequently Asked Questions

What is the IUPAC name of 1-(2-prop-2-enylphenoxy)propan-1-ol?
The IUPAC name of 1-(2-prop-2-enylphenoxy)propan-1-ol (CID 70371312) is 1-(2-prop-2-enylphenoxy)propan-1-ol.
What is the SMILES notation for 1-(2-prop-2-enylphenoxy)propan-1-ol?
The canonical SMILES for 1-(2-prop-2-enylphenoxy)propan-1-ol is C=CCc1ccccc1OC(O)CC.
What is the InChIKey of 1-(2-prop-2-enylphenoxy)propan-1-ol?
The InChIKey is RCQJHGSVWIGFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-3-7-10-8-5-6-9-11(10)14-12(13)4-2/h3,5-6,8-9,12-13H,1,4,7H2,2H3.
What are the key properties of 1-(2-prop-2-enylphenoxy)propan-1-ol?
1-(2-prop-2-enylphenoxy)propan-1-ol has a molecular weight of 192.26 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-prop-2-enylphenoxy)propan-1-ol is sourced from PubChem (CID 70371312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).