[2-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]-phenylmethanone

C23H18O — CID 23015860

IUPAC[2-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]-phenylmethanone
SMILESCC1=CCC(c2ccc3ccccc3c2C(=O)c2ccccc2)=C1
InChIInChI=1S/C23H18O/c1-16-11-12-19(15-16)21-14-13-17-7-5-6-10-20(17)22(21)23(24)18-8-3-2-4-9-18/h2-11,13-15H,12H2,1H3
InChIKeyIBNBRCORXKCMIH-UHFFFAOYSA-N
MW310.40 g/mol
LogP5.80
Rot. Bonds3

About [2-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]-phenylmethanone

[2-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]-phenylmethanone (PubChem CID 23015860) has the molecular formula C23H18O and a molecular weight of 310.40 g/mol. Its IUPAC name is [2-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]-phenylmethanone
PubChem CID23015860
Molecular FormulaC23H18O
Molecular Weight310.40 g/mol
Exact Mass310.14
IUPAC Name[2-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]-phenylmethanone
SMILESCC1=CCC(c2ccc3ccccc3c2C(=O)c2ccccc2)=C1
InChIInChI=1S/C23H18O/c1-16-11-12-19(15-16)21-14-13-17-7-5-6-10-20(17)22(21)23(24)18-8-3-2-4-9-18/h2-11,13-15H,12H2,1H3
InChIKeyIBNBRCORXKCMIH-UHFFFAOYSA-N
XLogP5.80
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.40
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethyl-1-[2-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]propan-1-imine
CID 87492755
cyclohexyl-[2-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methanimine
CID 87493961
[2-[2-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]phenyl]methanol
CID 68547710
2-methyl-N-[[2-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methyl]propan-2-amine
CID 23014795
1,2-dimethylhydrazine;diphenylmethanone;phenanthrene
CID 160628551
phenanthren-2-yl(phenyl)methanone
CID 131857195
[2-(3-nitrophenyl)naphthalen-1-yl]-phenylmethanone
CID 46928614
(4-bromophenyl)-(2-methylnaphthalen-1-yl)methanone
CID 81430357
4-[1-[2-(2,4-dicarboxyphenyl)naphthalene-1-carbonyl]naphthalen-2-yl]benzene-1,3-dicarboxylic acid
CID 139980510
(4-chlorophenyl)-(2-methylnaphthalen-1-yl)methanone
CID 71481457
phenyl-[2-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]methanone
CID 154426487
15H-cyclopenta[a]phenanthrene-17-carboxylic acid
CID 90303427

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]-phenylmethanone?
The IUPAC name of [2-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]-phenylmethanone (CID 23015860) is [2-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]-phenylmethanone.
What is the SMILES notation for [2-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]-phenylmethanone?
The canonical SMILES for [2-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]-phenylmethanone is CC1=CCC(c2ccc3ccccc3c2C(=O)c2ccccc2)=C1.
What is the InChIKey of [2-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]-phenylmethanone?
The InChIKey is IBNBRCORXKCMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18O/c1-16-11-12-19(15-16)21-14-13-17-7-5-6-10-20(17)22(21)23(24)18-8-3-2-4-9-18/h2-11,13-15H,12H2,1H3.
What are the key properties of [2-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]-phenylmethanone?
[2-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]-phenylmethanone has a molecular weight of 310.40 g/mol, XLogP of 5.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]-phenylmethanone is sourced from PubChem (CID 23015860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).