2-hydroxy-3-(4-methylphenyl)cyclohepta-2,4,6-trien-1-one

C14H12O2 — CID 146178966

IUPAC2-hydroxy-3-(4-methylphenyl)cyclohepta-2,4,6-trien-1-one
SMILESCc1ccc(-c2ccccc(=O)c2O)cc1
InChIInChI=1S/C14H12O2/c1-10-6-8-11(9-7-10)12-4-2-3-5-13(15)14(12)16/h2-9H,1H3,(H,15,16)
InChIKeyOSSTWOOWDNTDER-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.73
Rot. Bonds1

About 2-hydroxy-3-(4-methylphenyl)cyclohepta-2,4,6-trien-1-one

2-hydroxy-3-(4-methylphenyl)cyclohepta-2,4,6-trien-1-one (PubChem CID 146178966) has the molecular formula C14H12O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-hydroxy-3-(4-methylphenyl)cyclohepta-2,4,6-trien-1-one.

Molecular Properties

Compound Name2-hydroxy-3-(4-methylphenyl)cyclohepta-2,4,6-trien-1-one
PubChem CID146178966
Molecular FormulaC14H12O2
Molecular Weight212.25 g/mol
Exact Mass212.08
IUPAC Name2-hydroxy-3-(4-methylphenyl)cyclohepta-2,4,6-trien-1-one
SMILESCc1ccc(-c2ccccc(=O)c2O)cc1
InChIInChI=1S/C14H12O2/c1-10-6-8-11(9-7-10)12-4-2-3-5-13(15)14(12)16/h2-9H,1H3,(H,15,16)
InChIKeyOSSTWOOWDNTDER-UHFFFAOYSA-N
XLogP2.73
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(4-methylphenyl)cyclohepta-2,4,6-trien-1-one?
The IUPAC name of 2-hydroxy-3-(4-methylphenyl)cyclohepta-2,4,6-trien-1-one (CID 146178966) is 2-hydroxy-3-(4-methylphenyl)cyclohepta-2,4,6-trien-1-one.
What is the SMILES notation for 2-hydroxy-3-(4-methylphenyl)cyclohepta-2,4,6-trien-1-one?
The canonical SMILES for 2-hydroxy-3-(4-methylphenyl)cyclohepta-2,4,6-trien-1-one is Cc1ccc(-c2ccccc(=O)c2O)cc1.
What is the InChIKey of 2-hydroxy-3-(4-methylphenyl)cyclohepta-2,4,6-trien-1-one?
The InChIKey is OSSTWOOWDNTDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2/c1-10-6-8-11(9-7-10)12-4-2-3-5-13(15)14(12)16/h2-9H,1H3,(H,15,16).
What are the key properties of 2-hydroxy-3-(4-methylphenyl)cyclohepta-2,4,6-trien-1-one?
2-hydroxy-3-(4-methylphenyl)cyclohepta-2,4,6-trien-1-one has a molecular weight of 212.25 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(4-methylphenyl)cyclohepta-2,4,6-trien-1-one is sourced from PubChem (CID 146178966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).