6-hydroxy-2-[(4-phenylphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one

C23H20O2 — CID 11427427

IUPAC6-hydroxy-2-[(4-phenylphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1c2ccc(O)cc2CCC1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H20O2/c24-21-12-13-22-19(15-21)10-11-20(23(22)25)14-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-9,12-13,15,20,24H,10-11,14H2
InChIKeyWSDRZGNMHVUJFX-UHFFFAOYSA-N
MW328.41 g/mol
LogP5.05
Rot. Bonds3

About 6-hydroxy-2-[(4-phenylphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one

6-hydroxy-2-[(4-phenylphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 11427427) has the molecular formula C23H20O2 and a molecular weight of 328.41 g/mol. Its IUPAC name is 6-hydroxy-2-[(4-phenylphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-hydroxy-2-[(4-phenylphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one
PubChem CID11427427
Molecular FormulaC23H20O2
Molecular Weight328.41 g/mol
Exact Mass328.15
IUPAC Name6-hydroxy-2-[(4-phenylphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1c2ccc(O)cc2CCC1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H20O2/c24-21-12-13-22-19(15-21)10-11-20(23(22)25)14-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-9,12-13,15,20,24H,10-11,14H2
InChIKeyWSDRZGNMHVUJFX-UHFFFAOYSA-N
XLogP5.05
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.41
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-[(4-phenylphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 6-hydroxy-2-[(4-phenylphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one (CID 11427427) is 6-hydroxy-2-[(4-phenylphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 6-hydroxy-2-[(4-phenylphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 6-hydroxy-2-[(4-phenylphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one is O=C1c2ccc(O)cc2CCC1Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 6-hydroxy-2-[(4-phenylphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is WSDRZGNMHVUJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O2/c24-21-12-13-22-19(15-21)10-11-20(23(22)25)14-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-9,12-13,15,20,24H,10-11,14H2.
What are the key properties of 6-hydroxy-2-[(4-phenylphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one?
6-hydroxy-2-[(4-phenylphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 328.41 g/mol, XLogP of 5.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-[(4-phenylphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 11427427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).