2-(3,4-dimethylphenyl)-1-(1-hydroxycyclopentyl)ethanone

C15H20O2 — CID 103447700

IUPAC2-(3,4-dimethylphenyl)-1-(1-hydroxycyclopentyl)ethanone
SMILESCc1ccc(CC(=O)C2(O)CCCC2)cc1C
InChIInChI=1S/C15H20O2/c1-11-5-6-13(9-12(11)2)10-14(16)15(17)7-3-4-8-15/h5-6,9,17H,3-4,7-8,10H2,1-2H3
InChIKeyUOKHPFSIGMBFCF-UHFFFAOYSA-N
MW232.32 g/mol
LogP2.72
Rot. Bonds3

About 2-(3,4-dimethylphenyl)-1-(1-hydroxycyclopentyl)ethanone

2-(3,4-dimethylphenyl)-1-(1-hydroxycyclopentyl)ethanone (PubChem CID 103447700) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-1-(1-hydroxycyclopentyl)ethanone.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-1-(1-hydroxycyclopentyl)ethanone
PubChem CID103447700
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name2-(3,4-dimethylphenyl)-1-(1-hydroxycyclopentyl)ethanone
SMILESCc1ccc(CC(=O)C2(O)CCCC2)cc1C
InChIInChI=1S/C15H20O2/c1-11-5-6-13(9-12(11)2)10-14(16)15(17)7-3-4-8-15/h5-6,9,17H,3-4,7-8,10H2,1-2H3
InChIKeyUOKHPFSIGMBFCF-UHFFFAOYSA-N
XLogP2.72
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-aminocyclopropyl)-2-(3,4-dimethylphenyl)ethanone
CID 116576667
2-(3,4-dimethylphenyl)-1-(1-ethoxycyclopentyl)ethanone
CID 116747781
2-(3,4-dimethylphenyl)-1-(1-ethoxycyclohexyl)ethanone
CID 116748329
2-(4-tert-butylphenyl)-1-(1-hydroxycycloheptyl)ethanone
CID 103450069
2-(3,4-dimethylphenyl)-1-(1-phenylcyclopropyl)ethanone
CID 62880387
2-(3-bromo-4-fluorophenyl)-1-(1-hydroxycyclopentyl)ethanone
CID 103447608
1-[1-(aminomethyl)cyclohexyl]-3-(3,4-dimethylphenyl)propan-2-one
CID 116614430
2-(4-chloro-3-fluorophenyl)-1-(1-hydroxycycloheptyl)ethanone
CID 114012649
(3,4-dimethylphenyl)-(1-hydroxycyclopentyl)methanone
CID 103447660
N-(1-cyanocyclopentyl)-2-(3,4-dimethylphenyl)acetamide
CID 55023977
1-[(3,4-dimethylphenyl)methyl]cyclopropan-1-ol
CID 62669689
N-[(1-hydroxycyclohexyl)methyl]-2-(3-methoxy-4-methylphenyl)acetamide
CID 65113958

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-1-(1-hydroxycyclopentyl)ethanone?
The IUPAC name of 2-(3,4-dimethylphenyl)-1-(1-hydroxycyclopentyl)ethanone (CID 103447700) is 2-(3,4-dimethylphenyl)-1-(1-hydroxycyclopentyl)ethanone.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-1-(1-hydroxycyclopentyl)ethanone?
The canonical SMILES for 2-(3,4-dimethylphenyl)-1-(1-hydroxycyclopentyl)ethanone is Cc1ccc(CC(=O)C2(O)CCCC2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-1-(1-hydroxycyclopentyl)ethanone?
The InChIKey is UOKHPFSIGMBFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-11-5-6-13(9-12(11)2)10-14(16)15(17)7-3-4-8-15/h5-6,9,17H,3-4,7-8,10H2,1-2H3.
What are the key properties of 2-(3,4-dimethylphenyl)-1-(1-hydroxycyclopentyl)ethanone?
2-(3,4-dimethylphenyl)-1-(1-hydroxycyclopentyl)ethanone has a molecular weight of 232.32 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-1-(1-hydroxycyclopentyl)ethanone is sourced from PubChem (CID 103447700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).