4-methyl-2,3-diphenyl-3,4-dihydro-2H-naphthalen-1-one

C23H20O — CID 132948263

IUPAC4-methyl-2,3-diphenyl-3,4-dihydro-2H-naphthalen-1-one
SMILESCC1c2ccccc2C(=O)C(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C23H20O/c1-16-19-14-8-9-15-20(19)23(24)22(18-12-6-3-7-13-18)21(16)17-10-4-2-5-11-17/h2-16,21-22H,1H3
InChIKeyDIBRTIVIIYXQGR-UHFFFAOYSA-N
MW312.41 g/mol
LogP5.55
Rot. Bonds2

About 4-methyl-2,3-diphenyl-3,4-dihydro-2H-naphthalen-1-one

4-methyl-2,3-diphenyl-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 132948263) has the molecular formula C23H20O and a molecular weight of 312.41 g/mol. Its IUPAC name is 4-methyl-2,3-diphenyl-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name4-methyl-2,3-diphenyl-3,4-dihydro-2H-naphthalen-1-one
PubChem CID132948263
Molecular FormulaC23H20O
Molecular Weight312.41 g/mol
Exact Mass312.15
IUPAC Name4-methyl-2,3-diphenyl-3,4-dihydro-2H-naphthalen-1-one
SMILESCC1c2ccccc2C(=O)C(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C23H20O/c1-16-19-14-8-9-15-20(19)23(24)22(18-12-6-3-7-13-18)21(16)17-10-4-2-5-11-17/h2-16,21-22H,1H3
InChIKeyDIBRTIVIIYXQGR-UHFFFAOYSA-N
XLogP5.55
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.41
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,3-diphenyl-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 4-methyl-2,3-diphenyl-3,4-dihydro-2H-naphthalen-1-one (CID 132948263) is 4-methyl-2,3-diphenyl-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 4-methyl-2,3-diphenyl-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 4-methyl-2,3-diphenyl-3,4-dihydro-2H-naphthalen-1-one is CC1c2ccccc2C(=O)C(c2ccccc2)C1c1ccccc1.
What is the InChIKey of 4-methyl-2,3-diphenyl-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is DIBRTIVIIYXQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O/c1-16-19-14-8-9-15-20(19)23(24)22(18-12-6-3-7-13-18)21(16)17-10-4-2-5-11-17/h2-16,21-22H,1H3.
What are the key properties of 4-methyl-2,3-diphenyl-3,4-dihydro-2H-naphthalen-1-one?
4-methyl-2,3-diphenyl-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 312.41 g/mol, XLogP of 5.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,3-diphenyl-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 132948263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).