3-ethenyl-1-phenylhexan-2-ol

C14H20O — CID 101129248

IUPAC3-ethenyl-1-phenylhexan-2-ol
SMILESC=CC(CCC)C(O)Cc1ccccc1
InChIInChI=1S/C14H20O/c1-3-8-13(4-2)14(15)11-12-9-6-5-7-10-12/h4-7,9-10,13-15H,2-3,8,11H2,1H3
InChIKeyRXRPDDMMUYMTJQ-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.19
Rot. Bonds6

About 3-ethenyl-1-phenylhexan-2-ol

3-ethenyl-1-phenylhexan-2-ol (PubChem CID 101129248) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 3-ethenyl-1-phenylhexan-2-ol.

Molecular Properties

Compound Name3-ethenyl-1-phenylhexan-2-ol
PubChem CID101129248
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name3-ethenyl-1-phenylhexan-2-ol
SMILESC=CC(CCC)C(O)Cc1ccccc1
InChIInChI=1S/C14H20O/c1-3-8-13(4-2)14(15)11-12-9-6-5-7-10-12/h4-7,9-10,13-15H,2-3,8,11H2,1H3
InChIKeyRXRPDDMMUYMTJQ-UHFFFAOYSA-N
XLogP3.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-phenylhexane-2,3-diol
CID 68731092
(2S,3S)-3-methyl-1-phenylpent-4-en-2-ol
CID 101389726
3-methyl-1-phenylhexan-2-ol
CID 63018482
3-ethenyl-6-phenylhexane-1,4-diol
CID 10513125
(2R,3R)-1-phenylhex-5-ene-2,3-diol
CID 15260077
(2S,3S,5S)-2-amino-1-phenyl-5-propan-2-ylhept-6-en-3-ol
CID 57225946
3-methyl-1-phenylpentane-2,4-diol
CID 59748553
3-(phenylmethoxymethyl)-2-propylpent-4-enal
CID 86086944
(3S)-4-methyl-1-phenylhex-5-en-3-ol
CID 177392866
(4S)-4-methyl-1-phenylhex-5-en-3-ol
CID 12938739
(2S,3R,4S)-4-benzyl-2-phenylmethoxyhex-5-en-3-ol
CID 121344680
(1S)-2-ethenyl-1-phenylhexan-1-ol
CID 135057240

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-1-phenylhexan-2-ol?
The IUPAC name of 3-ethenyl-1-phenylhexan-2-ol (CID 101129248) is 3-ethenyl-1-phenylhexan-2-ol.
What is the SMILES notation for 3-ethenyl-1-phenylhexan-2-ol?
The canonical SMILES for 3-ethenyl-1-phenylhexan-2-ol is C=CC(CCC)C(O)Cc1ccccc1.
What is the InChIKey of 3-ethenyl-1-phenylhexan-2-ol?
The InChIKey is RXRPDDMMUYMTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-3-8-13(4-2)14(15)11-12-9-6-5-7-10-12/h4-7,9-10,13-15H,2-3,8,11H2,1H3.
What are the key properties of 3-ethenyl-1-phenylhexan-2-ol?
3-ethenyl-1-phenylhexan-2-ol has a molecular weight of 204.31 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-1-phenylhexan-2-ol is sourced from PubChem (CID 101129248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).