5-phenylcyclohepta-1,4,6-trien-1-ol

C13H12O — CID 143129599

IUPAC5-phenylcyclohepta-1,4,6-trien-1-ol
SMILESOC1=CCC=C(c2ccccc2)C=C1
InChIInChI=1S/C13H12O/c14-13-8-4-7-12(9-10-13)11-5-2-1-3-6-11/h1-3,5-10,14H,4H2
InChIKeyQXVMYOQTLWNBQY-UHFFFAOYSA-N
MW184.24 g/mol
LogP3.47
Rot. Bonds1

About 5-phenylcyclohepta-1,4,6-trien-1-ol

5-phenylcyclohepta-1,4,6-trien-1-ol (PubChem CID 143129599) has the molecular formula C13H12O and a molecular weight of 184.24 g/mol. Its IUPAC name is 5-phenylcyclohepta-1,4,6-trien-1-ol.

Molecular Properties

Compound Name5-phenylcyclohepta-1,4,6-trien-1-ol
PubChem CID143129599
Molecular FormulaC13H12O
Molecular Weight184.24 g/mol
Exact Mass184.09
IUPAC Name5-phenylcyclohepta-1,4,6-trien-1-ol
SMILESOC1=CCC=C(c2ccccc2)C=C1
InChIInChI=1S/C13H12O/c14-13-8-4-7-12(9-10-13)11-5-2-1-3-6-11/h1-3,5-10,14H,4H2
InChIKeyQXVMYOQTLWNBQY-UHFFFAOYSA-N
XLogP3.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-phenylcyclohepta-1,4,6-trien-1-ol?
The IUPAC name of 5-phenylcyclohepta-1,4,6-trien-1-ol (CID 143129599) is 5-phenylcyclohepta-1,4,6-trien-1-ol.
What is the SMILES notation for 5-phenylcyclohepta-1,4,6-trien-1-ol?
The canonical SMILES for 5-phenylcyclohepta-1,4,6-trien-1-ol is OC1=CCC=C(c2ccccc2)C=C1.
What is the InChIKey of 5-phenylcyclohepta-1,4,6-trien-1-ol?
The InChIKey is QXVMYOQTLWNBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O/c14-13-8-4-7-12(9-10-13)11-5-2-1-3-6-11/h1-3,5-10,14H,4H2.
What are the key properties of 5-phenylcyclohepta-1,4,6-trien-1-ol?
5-phenylcyclohepta-1,4,6-trien-1-ol has a molecular weight of 184.24 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylcyclohepta-1,4,6-trien-1-ol is sourced from PubChem (CID 143129599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).