[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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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).