7-phenylbicyclo[4.1.0]hepta-1,3,5-trien-7-ol

C13H10O — CID 87437290

IUPAC7-phenylbicyclo[4.1.0]hepta-1,3,5-trien-7-ol
SMILESOC1(c2ccccc2)c2ccccc21
InChIInChI=1S/C13H10O/c14-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)13/h1-9,14H
InChIKeyTVJRJBMPXVWNAO-UHFFFAOYSA-N
MW182.22 g/mol
LogP2.28
Rot. Bonds1

About 7-phenylbicyclo[4.1.0]hepta-1,3,5-trien-7-ol

7-phenylbicyclo[4.1.0]hepta-1,3,5-trien-7-ol (PubChem CID 87437290) has the molecular formula C13H10O and a molecular weight of 182.22 g/mol. Its IUPAC name is 7-phenylbicyclo[4.1.0]hepta-1,3,5-trien-7-ol.

Molecular Properties

Compound Name7-phenylbicyclo[4.1.0]hepta-1,3,5-trien-7-ol
PubChem CID87437290
Molecular FormulaC13H10O
Molecular Weight182.22 g/mol
Exact Mass182.07
IUPAC Name7-phenylbicyclo[4.1.0]hepta-1,3,5-trien-7-ol
SMILESOC1(c2ccccc2)c2ccccc21
InChIInChI=1S/C13H10O/c14-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)13/h1-9,14H
InChIKeyTVJRJBMPXVWNAO-UHFFFAOYSA-N
XLogP2.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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6,11-diphenyl-5,12-bis(4-phenylphenyl)tetracene-5,12-diol
CID 70872098
3,4,5,6-tetraphenylpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene-1,8-diol
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Frequently Asked Questions

What is the IUPAC name of 7-phenylbicyclo[4.1.0]hepta-1,3,5-trien-7-ol?
The IUPAC name of 7-phenylbicyclo[4.1.0]hepta-1,3,5-trien-7-ol (CID 87437290) is 7-phenylbicyclo[4.1.0]hepta-1,3,5-trien-7-ol.
What is the SMILES notation for 7-phenylbicyclo[4.1.0]hepta-1,3,5-trien-7-ol?
The canonical SMILES for 7-phenylbicyclo[4.1.0]hepta-1,3,5-trien-7-ol is OC1(c2ccccc2)c2ccccc21.
What is the InChIKey of 7-phenylbicyclo[4.1.0]hepta-1,3,5-trien-7-ol?
The InChIKey is TVJRJBMPXVWNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O/c14-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)13/h1-9,14H.
What are the key properties of 7-phenylbicyclo[4.1.0]hepta-1,3,5-trien-7-ol?
7-phenylbicyclo[4.1.0]hepta-1,3,5-trien-7-ol has a molecular weight of 182.22 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenylbicyclo[4.1.0]hepta-1,3,5-trien-7-ol is sourced from PubChem (CID 87437290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).