2-phenyl-2H-naphthalen-1-one

C16H12O — CID 141293759

IUPAC2-phenyl-2H-naphthalen-1-one
SMILESO=C1c2ccccc2C=CC1c1ccccc1
InChIInChI=1S/C16H12O/c17-16-14-9-5-4-8-13(14)10-11-15(16)12-6-2-1-3-7-12/h1-11,15H
InChIKeyKCUTVMXCRHEUPQ-UHFFFAOYSA-N
MW220.27 g/mol
LogP3.68
Rot. Bonds1

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

2-phenyl-2H-naphthalen-1-one (PubChem CID 141293759) has the molecular formula C16H12O and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-phenyl-2H-naphthalen-1-one.

Molecular Properties

Compound Name2-phenyl-2H-naphthalen-1-one
PubChem CID141293759
Molecular FormulaC16H12O
Molecular Weight220.27 g/mol
Exact Mass220.09
IUPAC Name2-phenyl-2H-naphthalen-1-one
SMILESO=C1c2ccccc2C=CC1c1ccccc1
InChIInChI=1S/C16H12O/c17-16-14-9-5-4-8-13(14)10-11-15(16)12-6-2-1-3-7-12/h1-11,15H
InChIKeyKCUTVMXCRHEUPQ-UHFFFAOYSA-N
XLogP3.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1-[2-[2-(1H-inden-1-yl)phenyl]phenyl]-1H-indene
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8-phenylbicyclo[4.2.0]octa-1,3,5-trien-7-one
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(6S)-6-methyl-6,7-dihydrobenzo[7]annulen-5-one
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1-[3-(1H-inden-1-yl)phenyl]-1H-indene
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3-(4-chlorophenyl)-1,3-dihydro-1-benzazepin-2-one
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tetracyclo[12.4.0.02,5.06,11]octadeca-1(18),2(5),6,8,10,12,14,16-octaene-3,4-dione
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CID 173302406
CID 173302406
1-(oxomethylidene)-2H-naphthalene-2-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2H-naphthalen-1-one?
The IUPAC name of 2-phenyl-2H-naphthalen-1-one (CID 141293759) is 2-phenyl-2H-naphthalen-1-one.
What is the SMILES notation for 2-phenyl-2H-naphthalen-1-one?
The canonical SMILES for 2-phenyl-2H-naphthalen-1-one is O=C1c2ccccc2C=CC1c1ccccc1.
What is the InChIKey of 2-phenyl-2H-naphthalen-1-one?
The InChIKey is KCUTVMXCRHEUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O/c17-16-14-9-5-4-8-13(14)10-11-15(16)12-6-2-1-3-7-12/h1-11,15H.
What are the key properties of 2-phenyl-2H-naphthalen-1-one?
2-phenyl-2H-naphthalen-1-one has a molecular weight of 220.27 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2H-naphthalen-1-one is sourced from PubChem (CID 141293759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).