4-hydroxy-2,3-dimethyl-3,4-diphenyl-2H-naphthalen-1-one

C24H22O2 — CID 10268957

IUPAC4-hydroxy-2,3-dimethyl-3,4-diphenyl-2H-naphthalen-1-one
SMILESCC1C(=O)c2ccccc2C(O)(c2ccccc2)C1(C)c1ccccc1
InChIInChI=1S/C24H22O2/c1-17-22(25)20-15-9-10-16-21(20)24(26,19-13-7-4-8-14-19)23(17,2)18-11-5-3-6-12-18/h3-17,26H,1-2H3
InChIKeyREBAEHWXQPBLEM-UHFFFAOYSA-N
MW342.44 g/mol
LogP4.71
Rot. Bonds2

About 4-hydroxy-2,3-dimethyl-3,4-diphenyl-2H-naphthalen-1-one

4-hydroxy-2,3-dimethyl-3,4-diphenyl-2H-naphthalen-1-one (PubChem CID 10268957) has the molecular formula C24H22O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 4-hydroxy-2,3-dimethyl-3,4-diphenyl-2H-naphthalen-1-one.

Molecular Properties

Compound Name4-hydroxy-2,3-dimethyl-3,4-diphenyl-2H-naphthalen-1-one
PubChem CID10268957
Molecular FormulaC24H22O2
Molecular Weight342.44 g/mol
Exact Mass342.16
IUPAC Name4-hydroxy-2,3-dimethyl-3,4-diphenyl-2H-naphthalen-1-one
SMILESCC1C(=O)c2ccccc2C(O)(c2ccccc2)C1(C)c1ccccc1
InChIInChI=1S/C24H22O2/c1-17-22(25)20-15-9-10-16-21(20)24(26,19-13-7-4-8-14-19)23(17,2)18-11-5-3-6-12-18/h3-17,26H,1-2H3
InChIKeyREBAEHWXQPBLEM-UHFFFAOYSA-N
XLogP4.71
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2,3-dimethyl-3,4-diphenyl-2H-naphthalen-1-one?
The IUPAC name of 4-hydroxy-2,3-dimethyl-3,4-diphenyl-2H-naphthalen-1-one (CID 10268957) is 4-hydroxy-2,3-dimethyl-3,4-diphenyl-2H-naphthalen-1-one.
What is the SMILES notation for 4-hydroxy-2,3-dimethyl-3,4-diphenyl-2H-naphthalen-1-one?
The canonical SMILES for 4-hydroxy-2,3-dimethyl-3,4-diphenyl-2H-naphthalen-1-one is CC1C(=O)c2ccccc2C(O)(c2ccccc2)C1(C)c1ccccc1.
What is the InChIKey of 4-hydroxy-2,3-dimethyl-3,4-diphenyl-2H-naphthalen-1-one?
The InChIKey is REBAEHWXQPBLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O2/c1-17-22(25)20-15-9-10-16-21(20)24(26,19-13-7-4-8-14-19)23(17,2)18-11-5-3-6-12-18/h3-17,26H,1-2H3.
What are the key properties of 4-hydroxy-2,3-dimethyl-3,4-diphenyl-2H-naphthalen-1-one?
4-hydroxy-2,3-dimethyl-3,4-diphenyl-2H-naphthalen-1-one has a molecular weight of 342.44 g/mol, XLogP of 4.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2,3-dimethyl-3,4-diphenyl-2H-naphthalen-1-one is sourced from PubChem (CID 10268957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).