[3-[(E)-oct-1-enyl]phenyl]methanol

C15H22O — CID 11298937

IUPAC[3-[(E)-oct-1-enyl]phenyl]methanol
SMILESCCCCCC/C=C/c1cccc(CO)c1
InChIInChI=1S/C15H22O/c1-2-3-4-5-6-7-9-14-10-8-11-15(12-14)13-16/h7-12,16H,2-6,13H2,1H3/b9-7+
InChIKeyJPQZSEQFARPJQP-VQHVLOKHSA-N
MW218.34 g/mol
LogP4.16
Rot. Bonds7

About [3-[(E)-oct-1-enyl]phenyl]methanol

[3-[(E)-oct-1-enyl]phenyl]methanol (PubChem CID 11298937) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is [3-[(E)-oct-1-enyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[(E)-oct-1-enyl]phenyl]methanol
PubChem CID11298937
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name[3-[(E)-oct-1-enyl]phenyl]methanol
SMILESCCCCCC/C=C/c1cccc(CO)c1
InChIInChI=1S/C15H22O/c1-2-3-4-5-6-7-9-14-10-8-11-15(12-14)13-16/h7-12,16H,2-6,13H2,1H3/b9-7+
InChIKeyJPQZSEQFARPJQP-VQHVLOKHSA-N
XLogP4.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.16
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

(2S)-2-amino-3-(3-undec-1-enylphenyl)propanoic acid
CID 141454583
1-(3-methylundecyl)-3-nonadec-1-enylbenzene
CID 173180950
[(E)-octadec-1-enyl]benzene
CID 22722345
3-[3-(hydroxymethyl)phenyl]prop-2-en-1-ol
CID 150777752
3-[(E)-dec-1-enyl]benzoic acid
CID 14233876
3-[(1E,4E)-pentadeca-1,4-dienyl]phenol
CID 101292637
3-[(E)-hex-1-enyl]phenol
CID 121007177
N-(hydroxymethyl)-3-tridec-1-enylbenzamide
CID 57068829
3-heptadeca-1,3,5-trienylphenol
CID 175776848
(3-prop-1-enylphenyl)methanol
CID 73411411
3-(3-hex-1-enylphenyl)prop-2-enoic acid
CID 57256540
2-[(E)-docos-1-enyl]naphthalene
CID 101307759

Frequently Asked Questions

What is the IUPAC name of [3-[(E)-oct-1-enyl]phenyl]methanol?
The IUPAC name of [3-[(E)-oct-1-enyl]phenyl]methanol (CID 11298937) is [3-[(E)-oct-1-enyl]phenyl]methanol.
What is the SMILES notation for [3-[(E)-oct-1-enyl]phenyl]methanol?
The canonical SMILES for [3-[(E)-oct-1-enyl]phenyl]methanol is CCCCCC/C=C/c1cccc(CO)c1.
What is the InChIKey of [3-[(E)-oct-1-enyl]phenyl]methanol?
The InChIKey is JPQZSEQFARPJQP-VQHVLOKHSA-N. The full InChI is InChI=1S/C15H22O/c1-2-3-4-5-6-7-9-14-10-8-11-15(12-14)13-16/h7-12,16H,2-6,13H2,1H3/b9-7+.
What are the key properties of [3-[(E)-oct-1-enyl]phenyl]methanol?
[3-[(E)-oct-1-enyl]phenyl]methanol has a molecular weight of 218.34 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(E)-oct-1-enyl]phenyl]methanol is sourced from PubChem (CID 11298937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).