(3-benzoyl-2,2,3-trimethylcyclopentyl)-phenylmethanone

C22H24O2 — CID 2750591

IUPAC(3-benzoyl-2,2,3-trimethylcyclopentyl)-phenylmethanone
SMILESCC1(C(=O)c2ccccc2)CCC(C(=O)c2ccccc2)C1(C)C
InChIInChI=1S/C22H24O2/c1-21(2)18(19(23)16-10-6-4-7-11-16)14-15-22(21,3)20(24)17-12-8-5-9-13-17/h4-13,18H,14-15H2,1-3H3
InChIKeyVSSQZOJJQVIVRA-UHFFFAOYSA-N
MW320.43 g/mol
LogP5.19
Rot. Bonds4

About (3-benzoyl-2,2,3-trimethylcyclopentyl)-phenylmethanone

(3-benzoyl-2,2,3-trimethylcyclopentyl)-phenylmethanone (PubChem CID 2750591) has the molecular formula C22H24O2 and a molecular weight of 320.43 g/mol. Its IUPAC name is (3-benzoyl-2,2,3-trimethylcyclopentyl)-phenylmethanone.

Molecular Properties

Compound Name(3-benzoyl-2,2,3-trimethylcyclopentyl)-phenylmethanone
PubChem CID2750591
Molecular FormulaC22H24O2
Molecular Weight320.43 g/mol
Exact Mass320.18
IUPAC Name(3-benzoyl-2,2,3-trimethylcyclopentyl)-phenylmethanone
SMILESCC1(C(=O)c2ccccc2)CCC(C(=O)c2ccccc2)C1(C)C
InChIInChI=1S/C22H24O2/c1-21(2)18(19(23)16-10-6-4-7-11-16)14-15-22(21,3)20(24)17-12-8-5-9-13-17/h4-13,18H,14-15H2,1-3H3
InChIKeyVSSQZOJJQVIVRA-UHFFFAOYSA-N
XLogP5.19
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.43
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-benzoyl-2,2,3-trimethylcyclopentyl)-phenylmethanone?
The IUPAC name of (3-benzoyl-2,2,3-trimethylcyclopentyl)-phenylmethanone (CID 2750591) is (3-benzoyl-2,2,3-trimethylcyclopentyl)-phenylmethanone.
What is the SMILES notation for (3-benzoyl-2,2,3-trimethylcyclopentyl)-phenylmethanone?
The canonical SMILES for (3-benzoyl-2,2,3-trimethylcyclopentyl)-phenylmethanone is CC1(C(=O)c2ccccc2)CCC(C(=O)c2ccccc2)C1(C)C.
What is the InChIKey of (3-benzoyl-2,2,3-trimethylcyclopentyl)-phenylmethanone?
The InChIKey is VSSQZOJJQVIVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O2/c1-21(2)18(19(23)16-10-6-4-7-11-16)14-15-22(21,3)20(24)17-12-8-5-9-13-17/h4-13,18H,14-15H2,1-3H3.
What are the key properties of (3-benzoyl-2,2,3-trimethylcyclopentyl)-phenylmethanone?
(3-benzoyl-2,2,3-trimethylcyclopentyl)-phenylmethanone has a molecular weight of 320.43 g/mol, XLogP of 5.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzoyl-2,2,3-trimethylcyclopentyl)-phenylmethanone is sourced from PubChem (CID 2750591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).