4-[(E)-3-hydroxyprop-1-enyl]-2-prop-2-enylphenol

C12H14O2 — CID 12641154

IUPAC4-[(E)-3-hydroxyprop-1-enyl]-2-prop-2-enylphenol
SMILESC=CCc1cc(/C=C/CO)ccc1O
InChIInChI=1S/C12H14O2/c1-2-4-11-9-10(5-3-8-13)6-7-12(11)14/h2-3,5-7,9,13-14H,1,4,8H2/b5-3+
InChIKeyBSIOHLHUWBIODB-HWKANZROSA-N
MW190.24 g/mol
LogP2.13
Rot. Bonds4

About 4-[(E)-3-hydroxyprop-1-enyl]-2-prop-2-enylphenol

4-[(E)-3-hydroxyprop-1-enyl]-2-prop-2-enylphenol (PubChem CID 12641154) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 4-[(E)-3-hydroxyprop-1-enyl]-2-prop-2-enylphenol.

Molecular Properties

Compound Name4-[(E)-3-hydroxyprop-1-enyl]-2-prop-2-enylphenol
PubChem CID12641154
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name4-[(E)-3-hydroxyprop-1-enyl]-2-prop-2-enylphenol
SMILESC=CCc1cc(/C=C/CO)ccc1O
InChIInChI=1S/C12H14O2/c1-2-4-11-9-10(5-3-8-13)6-7-12(11)14/h2-3,5-7,9,13-14H,1,4,8H2/b5-3+
InChIKeyBSIOHLHUWBIODB-HWKANZROSA-N
XLogP2.13
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-5-phenylpent-1-en-4-ynyl]-2-prop-2-enylphenol
CID 164682402
3-(4-dodecoxy-3-prop-2-enylphenyl)prop-2-en-1-ol
CID 75081708
2-chloro-4-[(E)-3-hydroxyprop-1-enyl]phenol
CID 12641151
(E)-3-(3,4-dimethoxy-5-prop-2-enylphenyl)prop-2-en-1-ol
CID 44610392
3-[4-[(3,4-dichlorophenyl)methoxy]-3-prop-2-enylphenyl]prop-2-en-1-ol
CID 75081705
4-(4-hydroxyphenyl)-2-prop-2-enylphenol
CID 70597664
4-hydroxy-3-prop-2-enylbenzoic acid;zinc
CID 67875987
4-prop-2-enoxy-2-prop-2-enylphenol
CID 45091477
2-bromo-5-[(E)-3-hydroxyprop-1-enyl]phenol
CID 12641157
2-amino-5-(3-hydroxyprop-1-enyl)phenol
CID 169453102
4-ethenyl-2-(3-methylbut-2-enyl)phenol
CID 101116334
(E)-3-(3,4-dimethylphenyl)prop-2-en-1-ol
CID 21017863

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-hydroxyprop-1-enyl]-2-prop-2-enylphenol?
The IUPAC name of 4-[(E)-3-hydroxyprop-1-enyl]-2-prop-2-enylphenol (CID 12641154) is 4-[(E)-3-hydroxyprop-1-enyl]-2-prop-2-enylphenol.
What is the SMILES notation for 4-[(E)-3-hydroxyprop-1-enyl]-2-prop-2-enylphenol?
The canonical SMILES for 4-[(E)-3-hydroxyprop-1-enyl]-2-prop-2-enylphenol is C=CCc1cc(/C=C/CO)ccc1O.
What is the InChIKey of 4-[(E)-3-hydroxyprop-1-enyl]-2-prop-2-enylphenol?
The InChIKey is BSIOHLHUWBIODB-HWKANZROSA-N. The full InChI is InChI=1S/C12H14O2/c1-2-4-11-9-10(5-3-8-13)6-7-12(11)14/h2-3,5-7,9,13-14H,1,4,8H2/b5-3+.
What are the key properties of 4-[(E)-3-hydroxyprop-1-enyl]-2-prop-2-enylphenol?
4-[(E)-3-hydroxyprop-1-enyl]-2-prop-2-enylphenol has a molecular weight of 190.24 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-hydroxyprop-1-enyl]-2-prop-2-enylphenol is sourced from PubChem (CID 12641154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).