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

C13H16O — CID 101070006

IUPAC1-phenylhepta-2,3-dien-1-ol
SMILESCCCC=C=CC(O)c1ccccc1
InChIInChI=1S/C13H16O/c1-2-3-4-8-11-13(14)12-9-6-5-7-10-12/h4-7,9-11,13-14H,2-3H2,1H3
InChIKeyWEGYEFAEYWSNGK-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.23
Rot. Bonds4

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

1-phenylhepta-2,3-dien-1-ol (PubChem CID 101070006) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-phenylhepta-2,3-dien-1-ol.

Molecular Properties

Compound Name1-phenylhepta-2,3-dien-1-ol
PubChem CID101070006
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name1-phenylhepta-2,3-dien-1-ol
SMILESCCCC=C=CC(O)c1ccccc1
InChIInChI=1S/C13H16O/c1-2-3-4-8-11-13(14)12-9-6-5-7-10-12/h4-7,9-11,13-14H,2-3H2,1H3
InChIKeyWEGYEFAEYWSNGK-UHFFFAOYSA-N
XLogP3.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-phenylhepta-2,3-dien-1-ol?
The IUPAC name of 1-phenylhepta-2,3-dien-1-ol (CID 101070006) is 1-phenylhepta-2,3-dien-1-ol.
What is the SMILES notation for 1-phenylhepta-2,3-dien-1-ol?
The canonical SMILES for 1-phenylhepta-2,3-dien-1-ol is CCCC=C=CC(O)c1ccccc1.
What is the InChIKey of 1-phenylhepta-2,3-dien-1-ol?
The InChIKey is WEGYEFAEYWSNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O/c1-2-3-4-8-11-13(14)12-9-6-5-7-10-12/h4-7,9-11,13-14H,2-3H2,1H3.
What are the key properties of 1-phenylhepta-2,3-dien-1-ol?
1-phenylhepta-2,3-dien-1-ol has a molecular weight of 188.27 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylhepta-2,3-dien-1-ol is sourced from PubChem (CID 101070006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).