1-[2-(3-methylphenyl)acetyl]fluoren-9-one

C22H16O2 — CID 123450331

IUPAC1-[2-(3-methylphenyl)acetyl]fluoren-9-one
SMILESCc1cccc(CC(=O)c2cccc3c2C(=O)c2ccccc2-3)c1
InChIInChI=1S/C22H16O2/c1-14-6-4-7-15(12-14)13-20(23)19-11-5-10-17-16-8-2-3-9-18(16)22(24)21(17)19/h2-12H,13H2,1H3
InChIKeySKJBSNPRWDCIHP-UHFFFAOYSA-N
MW312.37 g/mol
LogP4.63
Rot. Bonds3

About 1-[2-(3-methylphenyl)acetyl]fluoren-9-one

1-[2-(3-methylphenyl)acetyl]fluoren-9-one (PubChem CID 123450331) has the molecular formula C22H16O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-[2-(3-methylphenyl)acetyl]fluoren-9-one.

Molecular Properties

Compound Name1-[2-(3-methylphenyl)acetyl]fluoren-9-one
PubChem CID123450331
Molecular FormulaC22H16O2
Molecular Weight312.37 g/mol
Exact Mass312.12
IUPAC Name1-[2-(3-methylphenyl)acetyl]fluoren-9-one
SMILESCc1cccc(CC(=O)c2cccc3c2C(=O)c2ccccc2-3)c1
InChIInChI=1S/C22H16O2/c1-14-6-4-7-15(12-14)13-20(23)19-11-5-10-17-16-8-2-3-9-18(16)22(24)21(17)19/h2-12H,13H2,1H3
InChIKeySKJBSNPRWDCIHP-UHFFFAOYSA-N
XLogP4.63
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylphenyl)acetyl]fluoren-9-one?
The IUPAC name of 1-[2-(3-methylphenyl)acetyl]fluoren-9-one (CID 123450331) is 1-[2-(3-methylphenyl)acetyl]fluoren-9-one.
What is the SMILES notation for 1-[2-(3-methylphenyl)acetyl]fluoren-9-one?
The canonical SMILES for 1-[2-(3-methylphenyl)acetyl]fluoren-9-one is Cc1cccc(CC(=O)c2cccc3c2C(=O)c2ccccc2-3)c1.
What is the InChIKey of 1-[2-(3-methylphenyl)acetyl]fluoren-9-one?
The InChIKey is SKJBSNPRWDCIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16O2/c1-14-6-4-7-15(12-14)13-20(23)19-11-5-10-17-16-8-2-3-9-18(16)22(24)21(17)19/h2-12H,13H2,1H3.
What are the key properties of 1-[2-(3-methylphenyl)acetyl]fluoren-9-one?
1-[2-(3-methylphenyl)acetyl]fluoren-9-one has a molecular weight of 312.37 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylphenyl)acetyl]fluoren-9-one is sourced from PubChem (CID 123450331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).