2-hydroxy-6-phenylcyclohepta-2,4,6-trien-1-one

C13H10O2 — CID 11019840

IUPAC2-hydroxy-6-phenylcyclohepta-2,4,6-trien-1-one
SMILESO=c1cc(-c2ccccc2)cccc1O
InChIInChI=1S/C13H10O2/c14-12-8-4-7-11(9-13(12)15)10-5-2-1-3-6-10/h1-9H,(H,14,15)
InChIKeyMAAPIYPCXMEMAV-UHFFFAOYSA-N
MW198.22 g/mol
LogP2.42
Rot. Bonds1

About 2-hydroxy-6-phenylcyclohepta-2,4,6-trien-1-one

2-hydroxy-6-phenylcyclohepta-2,4,6-trien-1-one (PubChem CID 11019840) has the molecular formula C13H10O2 and a molecular weight of 198.22 g/mol. Its IUPAC name is 2-hydroxy-6-phenylcyclohepta-2,4,6-trien-1-one.

Molecular Properties

Compound Name2-hydroxy-6-phenylcyclohepta-2,4,6-trien-1-one
PubChem CID11019840
Molecular FormulaC13H10O2
Molecular Weight198.22 g/mol
Exact Mass198.07
IUPAC Name2-hydroxy-6-phenylcyclohepta-2,4,6-trien-1-one
SMILESO=c1cc(-c2ccccc2)cccc1O
InChIInChI=1S/C13H10O2/c14-12-8-4-7-11(9-13(12)15)10-5-2-1-3-6-10/h1-9H,(H,14,15)
InChIKeyMAAPIYPCXMEMAV-UHFFFAOYSA-N
XLogP2.42
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-phenylcyclohepta-2,4,6-trien-1-one?
The IUPAC name of 2-hydroxy-6-phenylcyclohepta-2,4,6-trien-1-one (CID 11019840) is 2-hydroxy-6-phenylcyclohepta-2,4,6-trien-1-one.
What is the SMILES notation for 2-hydroxy-6-phenylcyclohepta-2,4,6-trien-1-one?
The canonical SMILES for 2-hydroxy-6-phenylcyclohepta-2,4,6-trien-1-one is O=c1cc(-c2ccccc2)cccc1O.
What is the InChIKey of 2-hydroxy-6-phenylcyclohepta-2,4,6-trien-1-one?
The InChIKey is MAAPIYPCXMEMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O2/c14-12-8-4-7-11(9-13(12)15)10-5-2-1-3-6-10/h1-9H,(H,14,15).
What are the key properties of 2-hydroxy-6-phenylcyclohepta-2,4,6-trien-1-one?
2-hydroxy-6-phenylcyclohepta-2,4,6-trien-1-one has a molecular weight of 198.22 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-phenylcyclohepta-2,4,6-trien-1-one is sourced from PubChem (CID 11019840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).