3-[(E)-hex-1-enyl]phenol

C12H16O — CID 121007177

IUPAC3-[(E)-hex-1-enyl]phenol
SMILESCCCC/C=C/c1cccc(O)c1
InChIInChI=1S/C12H16O/c1-2-3-4-5-7-11-8-6-9-12(13)10-11/h5-10,13H,2-4H2,1H3/b7-5+
InChIKeyGSAMDJOBZBHVGY-FNORWQNLSA-N
MW176.26 g/mol
LogP3.60
Rot. Bonds4

About 3-[(E)-hex-1-enyl]phenol

3-[(E)-hex-1-enyl]phenol (PubChem CID 121007177) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 3-[(E)-hex-1-enyl]phenol.

Molecular Properties

Compound Name3-[(E)-hex-1-enyl]phenol
PubChem CID121007177
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name3-[(E)-hex-1-enyl]phenol
SMILESCCCC/C=C/c1cccc(O)c1
InChIInChI=1S/C12H16O/c1-2-3-4-5-7-11-8-6-9-12(13)10-11/h5-10,13H,2-4H2,1H3/b7-5+
InChIKeyGSAMDJOBZBHVGY-FNORWQNLSA-N
XLogP3.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[(1E,4E)-pentadeca-1,4-dienyl]phenol
CID 101292637
3-heptadeca-1,3,5-trienylphenol
CID 175776848
1-[3-[(E)-hex-1-enyl]phenyl]ethanone
CID 10512317
3-(3-hex-1-enylphenyl)prop-2-enoic acid
CID 57256540
2-(oxiran-2-ylmethoxymethyl)oxirane;3-pentadec-1-enylphenol
CID 175152718
2-amino-4-hex-1-enylphenol
CID 151495931
5-tridec-1-enylbenzene-1,3-diol
CID 71328262
5-[(E)-tetradec-1-enyl]benzene-1,3-diol
CID 102403768
5-oct-1-enylbenzene-1,3-diol
CID 54079025
[3-[(E)-oct-1-enyl]phenyl]methanol
CID 11298937
3-(2-hydroxynonadeca-1,3-dienyl)phenol
CID 163189726
methyl 3-[(E)-hept-1-enyl]benzoate
CID 11148980

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-hex-1-enyl]phenol?
The IUPAC name of 3-[(E)-hex-1-enyl]phenol (CID 121007177) is 3-[(E)-hex-1-enyl]phenol.
What is the SMILES notation for 3-[(E)-hex-1-enyl]phenol?
The canonical SMILES for 3-[(E)-hex-1-enyl]phenol is CCCC/C=C/c1cccc(O)c1.
What is the InChIKey of 3-[(E)-hex-1-enyl]phenol?
The InChIKey is GSAMDJOBZBHVGY-FNORWQNLSA-N. The full InChI is InChI=1S/C12H16O/c1-2-3-4-5-7-11-8-6-9-12(13)10-11/h5-10,13H,2-4H2,1H3/b7-5+.
What are the key properties of 3-[(E)-hex-1-enyl]phenol?
3-[(E)-hex-1-enyl]phenol has a molecular weight of 176.26 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-hex-1-enyl]phenol is sourced from PubChem (CID 121007177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).