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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Related Compounds

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(3R,4R)-3,4-dimethyl-4-phenyl-2,3-dihydronaphthalen-1-one
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methyl 1,1-dimethyl-6-oxo-6aH-cyclopropa[a]indene-1a-carboxylate
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(3S,4S,5R)-4-hydroxy-3,5-dimethyl-4-phenyloxolan-2-one
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2-amino-4,4-dimethyl-2,3-dihydronaphthalen-1-one;hydrochloride
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(3R)-3-hydroxy-2-methyl-3-phenylisoindol-1-one
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(1S,2S,3R,3aR,8bS)-1,8b-dihydroxy-3-(4-methoxyphenyl)-1,2-diphenyl-3,3a-dihydro-2H-cyclopenta[a]inden-4-one
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CID 14471431
14-phenyltetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-ol
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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).