3-(2-prop-2-enoxyphenyl)prop-2-en-1-ol

C12H14O2 — CID 79335813

IUPAC3-(2-prop-2-enoxyphenyl)prop-2-en-1-ol
SMILESC=CCOc1ccccc1C=CCO
InChIInChI=1S/C12H14O2/c1-2-10-14-12-8-4-3-6-11(12)7-5-9-13/h2-8,13H,1,9-10H2
InChIKeyPDEIGOYKXLWAGO-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.26
Rot. Bonds5

About 3-(2-prop-2-enoxyphenyl)prop-2-en-1-ol

3-(2-prop-2-enoxyphenyl)prop-2-en-1-ol (PubChem CID 79335813) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 3-(2-prop-2-enoxyphenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name3-(2-prop-2-enoxyphenyl)prop-2-en-1-ol
PubChem CID79335813
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name3-(2-prop-2-enoxyphenyl)prop-2-en-1-ol
SMILESC=CCOc1ccccc1C=CCO
InChIInChI=1S/C12H14O2/c1-2-10-14-12-8-4-3-6-11(12)7-5-9-13/h2-8,13H,1,9-10H2
InChIKeyPDEIGOYKXLWAGO-UHFFFAOYSA-N
XLogP2.26
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[2-(3-hydroxyprop-1-enyl)phenoxy]acetonitrile
CID 79335466
(E)-3-(2-methoxyphenyl)prop-2-en-1-ol
CID 11400969
N-[(2-prop-2-enoxyphenyl)methylidene]hydroxylamine
CID 659181
3-(2-ethenylphenyl)prop-2-en-1-ol
CID 169452931
(E)-3-(2-prop-2-enoxyphenyl)prop-2-enehydrazide
CID 6263279
(2-prop-2-enoxyphenyl)methanol
CID 11137475
(E)-3-[2-(hydroxymethyl)phenyl]prop-2-en-1-ol
CID 14397663
(Z)-2-phenyl-3-(2-prop-2-enoxyphenyl)prop-2-enoic acid
CID 43352799
1-[2-(bromomethyl)-3-methylbut-1-enyl]-2-prop-2-enoxybenzene
CID 79323305
1-(3-phenylpropa-1,2-dienyl)-2-prop-2-enoxybenzene
CID 71560134
(E)-3-(2,3-dimethoxyphenyl)prop-2-en-1-ol
CID 67913122
CID 54342981
CID 54342981

Frequently Asked Questions

What is the IUPAC name of 3-(2-prop-2-enoxyphenyl)prop-2-en-1-ol?
The IUPAC name of 3-(2-prop-2-enoxyphenyl)prop-2-en-1-ol (CID 79335813) is 3-(2-prop-2-enoxyphenyl)prop-2-en-1-ol.
What is the SMILES notation for 3-(2-prop-2-enoxyphenyl)prop-2-en-1-ol?
The canonical SMILES for 3-(2-prop-2-enoxyphenyl)prop-2-en-1-ol is C=CCOc1ccccc1C=CCO.
What is the InChIKey of 3-(2-prop-2-enoxyphenyl)prop-2-en-1-ol?
The InChIKey is PDEIGOYKXLWAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-2-10-14-12-8-4-3-6-11(12)7-5-9-13/h2-8,13H,1,9-10H2.
What are the key properties of 3-(2-prop-2-enoxyphenyl)prop-2-en-1-ol?
3-(2-prop-2-enoxyphenyl)prop-2-en-1-ol has a molecular weight of 190.24 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-prop-2-enoxyphenyl)prop-2-en-1-ol is sourced from PubChem (CID 79335813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).