2-phenylhepta-1,6-dien-3-ol

C13H16O — CID 13086296

IUPAC2-phenylhepta-1,6-dien-3-ol
SMILESC=CCCC(O)C(=C)c1ccccc1
InChIInChI=1S/C13H16O/c1-3-4-10-13(14)11(2)12-8-6-5-7-9-12/h3,5-9,13-14H,1-2,4,10H2
InChIKeyXVOQINFUQDNUBW-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.03
Rot. Bonds5

About 2-phenylhepta-1,6-dien-3-ol

2-phenylhepta-1,6-dien-3-ol (PubChem CID 13086296) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-phenylhepta-1,6-dien-3-ol.

Molecular Properties

Compound Name2-phenylhepta-1,6-dien-3-ol
PubChem CID13086296
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name2-phenylhepta-1,6-dien-3-ol
SMILESC=CCCC(O)C(=C)c1ccccc1
InChIInChI=1S/C13H16O/c1-3-4-10-13(14)11(2)12-8-6-5-7-9-12/h3,5-9,13-14H,1-2,4,10H2
InChIKeyXVOQINFUQDNUBW-UHFFFAOYSA-N
XLogP3.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.03
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

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1-(furan-2-yl)-3-hydroxy-4-phenylpent-4-en-1-one
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1,2-diphenylprop-2-en-1-ol
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[(2S,3R)-2-phenylhept-6-en-3-yl]benzene
CID 11097015
(2S)-2-phenylhex-5-enoic acid
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Frequently Asked Questions

What is the IUPAC name of 2-phenylhepta-1,6-dien-3-ol?
The IUPAC name of 2-phenylhepta-1,6-dien-3-ol (CID 13086296) is 2-phenylhepta-1,6-dien-3-ol.
What is the SMILES notation for 2-phenylhepta-1,6-dien-3-ol?
The canonical SMILES for 2-phenylhepta-1,6-dien-3-ol is C=CCCC(O)C(=C)c1ccccc1.
What is the InChIKey of 2-phenylhepta-1,6-dien-3-ol?
The InChIKey is XVOQINFUQDNUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O/c1-3-4-10-13(14)11(2)12-8-6-5-7-9-12/h3,5-9,13-14H,1-2,4,10H2.
What are the key properties of 2-phenylhepta-1,6-dien-3-ol?
2-phenylhepta-1,6-dien-3-ol has a molecular weight of 188.27 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylhepta-1,6-dien-3-ol is sourced from PubChem (CID 13086296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).