1-hydroxy-4-phenyl-1H-naphthalen-2-one

C16H12O2 — CID 146600590

IUPAC1-hydroxy-4-phenyl-1H-naphthalen-2-one
SMILESO=C1C=C(c2ccccc2)c2ccccc2C1O
InChIInChI=1S/C16H12O2/c17-15-10-14(11-6-2-1-3-7-11)12-8-4-5-9-13(12)16(15)18/h1-10,16,18H
InChIKeyCLKQBSCDIRSFRI-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.73
Rot. Bonds1

About 1-hydroxy-4-phenyl-1H-naphthalen-2-one

1-hydroxy-4-phenyl-1H-naphthalen-2-one (PubChem CID 146600590) has the molecular formula C16H12O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-hydroxy-4-phenyl-1H-naphthalen-2-one.

Molecular Properties

Compound Name1-hydroxy-4-phenyl-1H-naphthalen-2-one
PubChem CID146600590
Molecular FormulaC16H12O2
Molecular Weight236.27 g/mol
Exact Mass236.08
IUPAC Name1-hydroxy-4-phenyl-1H-naphthalen-2-one
SMILESO=C1C=C(c2ccccc2)c2ccccc2C1O
InChIInChI=1S/C16H12O2/c17-15-10-14(11-6-2-1-3-7-11)12-8-4-5-9-13(12)16(15)18/h1-10,16,18H
InChIKeyCLKQBSCDIRSFRI-UHFFFAOYSA-N
XLogP2.73
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4-phenyl-1H-naphthalen-2-one?
The IUPAC name of 1-hydroxy-4-phenyl-1H-naphthalen-2-one (CID 146600590) is 1-hydroxy-4-phenyl-1H-naphthalen-2-one.
What is the SMILES notation for 1-hydroxy-4-phenyl-1H-naphthalen-2-one?
The canonical SMILES for 1-hydroxy-4-phenyl-1H-naphthalen-2-one is O=C1C=C(c2ccccc2)c2ccccc2C1O.
What is the InChIKey of 1-hydroxy-4-phenyl-1H-naphthalen-2-one?
The InChIKey is CLKQBSCDIRSFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O2/c17-15-10-14(11-6-2-1-3-7-11)12-8-4-5-9-13(12)16(15)18/h1-10,16,18H.
What are the key properties of 1-hydroxy-4-phenyl-1H-naphthalen-2-one?
1-hydroxy-4-phenyl-1H-naphthalen-2-one has a molecular weight of 236.27 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 1-hydroxy-4-phenyl-1H-naphthalen-2-one is sourced from PubChem (CID 146600590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).