(2,3-dimethylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone

C18H26O — CID 114970137

IUPAC(2,3-dimethylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone
SMILESCc1cccc(C(=O)C2(CC(C)C)CCCC2)c1C
InChIInChI=1S/C18H26O/c1-13(2)12-18(10-5-6-11-18)17(19)16-9-7-8-14(3)15(16)4/h7-9,13H,5-6,10-12H2,1-4H3
InChIKeyUVNDNTIGBQVARG-UHFFFAOYSA-N
MW258.40 g/mol
LogP5.09
Rot. Bonds4

About (2,3-dimethylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone

(2,3-dimethylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone (PubChem CID 114970137) has the molecular formula C18H26O and a molecular weight of 258.40 g/mol. Its IUPAC name is (2,3-dimethylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone.

Molecular Properties

Compound Name(2,3-dimethylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone
PubChem CID114970137
Molecular FormulaC18H26O
Molecular Weight258.40 g/mol
Exact Mass258.20
IUPAC Name(2,3-dimethylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone
SMILESCc1cccc(C(=O)C2(CC(C)C)CCCC2)c1C
InChIInChI=1S/C18H26O/c1-13(2)12-18(10-5-6-11-18)17(19)16-9-7-8-14(3)15(16)4/h7-9,13H,5-6,10-12H2,1-4H3
InChIKeyUVNDNTIGBQVARG-UHFFFAOYSA-N
XLogP5.09
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.40
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(aminomethyl)cyclobutyl]-(2,3-dimethylphenyl)methanone
CID 116600303
(3-bromo-2-fluorophenyl)-[1-(2-methylpropyl)cyclopentyl]methanone
CID 106647512
(3-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone
CID 114962620
(4-fluoro-2-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone
CID 114970746
(5-fluoro-2-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone
CID 114970598
(2,3-dimethylphenyl)-(3-propylpiperidin-3-yl)methanone
CID 116569681
(4-fluoro-2,6-dimethylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone
CID 106877039
(4-bromo-1H-indol-3-yl)-[1-(2-methylpropyl)cyclopentyl]methanone
CID 115351549
(2,3-dimethylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106982352
1-(2,3-dimethylphenyl)-4-methylpentan-1-one
CID 62548356
cyclopenten-1-yl-(2,3-dimethylphenyl)methanone
CID 62080312
1-(2,3-dimethylphenyl)-3-hydroxybutan-1-one
CID 162516243

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone?
The IUPAC name of (2,3-dimethylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone (CID 114970137) is (2,3-dimethylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone.
What is the SMILES notation for (2,3-dimethylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone?
The canonical SMILES for (2,3-dimethylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone is Cc1cccc(C(=O)C2(CC(C)C)CCCC2)c1C.
What is the InChIKey of (2,3-dimethylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone?
The InChIKey is UVNDNTIGBQVARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O/c1-13(2)12-18(10-5-6-11-18)17(19)16-9-7-8-14(3)15(16)4/h7-9,13H,5-6,10-12H2,1-4H3.
What are the key properties of (2,3-dimethylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone?
(2,3-dimethylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone has a molecular weight of 258.40 g/mol, XLogP of 5.09, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone is sourced from PubChem (CID 114970137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).