2-cyclopropyl-1-(3,4-dimethylphenyl)-2-hydroxyethanone

C13H16O2 — CID 103455717

IUPAC2-cyclopropyl-1-(3,4-dimethylphenyl)-2-hydroxyethanone
SMILESCc1ccc(C(=O)C(O)C2CC2)cc1C
InChIInChI=1S/C13H16O2/c1-8-3-4-11(7-9(8)2)13(15)12(14)10-5-6-10/h3-4,7,10,12,14H,5-6H2,1-2H3
InChIKeyMOPXONWKBLAWTB-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.26
Rot. Bonds3

About 2-cyclopropyl-1-(3,4-dimethylphenyl)-2-hydroxyethanone

2-cyclopropyl-1-(3,4-dimethylphenyl)-2-hydroxyethanone (PubChem CID 103455717) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-cyclopropyl-1-(3,4-dimethylphenyl)-2-hydroxyethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-(3,4-dimethylphenyl)-2-hydroxyethanone
PubChem CID103455717
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name2-cyclopropyl-1-(3,4-dimethylphenyl)-2-hydroxyethanone
SMILESCc1ccc(C(=O)C(O)C2CC2)cc1C
InChIInChI=1S/C13H16O2/c1-8-3-4-11(7-9(8)2)13(15)12(14)10-5-6-10/h3-4,7,10,12,14H,5-6H2,1-2H3
InChIKeyMOPXONWKBLAWTB-UHFFFAOYSA-N
XLogP2.26
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-2-hydroxy-1-(3-methylphenyl)ethanone
CID 103455848
2-cyclopropyl-2-hydroxy-1-(6-methyl-3-pyridinyl)ethanone
CID 103455679
methyl 3-(cyclopropylamino)-4-(3,4-dimethylphenyl)-4-oxobutanoate
CID 82347625
2-cyclopentylsulfonyl-1-(3,4-dimethylphenyl)propan-1-one
CID 64636781
1-(3,4-dimethylphenyl)-2-hydroxy-2-nitroethanone
CID 57115544
(3,4-dimethylphenyl)-[3-[(1R)-1-hydroxyethyl]azetidin-1-yl]methanone
CID 154866258
1-(3,4-dimethylphenyl)-2-[ethyl(methyl)amino]propan-1-one
CID 43794892
2-cyclohexyl-2-hydroxy-1-(4-propan-2-ylphenyl)ethanone
CID 103457516
1-(4-tert-butylphenyl)-2-cyclohexyl-2-hydroxyethanone
CID 103457627
2-(3,4-dimethylcyclohexyl)oxy-1-(3,4-dimethylphenyl)propan-1-one
CID 64745183
1-(3,4-dimethylphenyl)-2-(3,5-dimethylpiperidin-1-yl)propan-1-one
CID 43227858
(3,4-dimethylphenyl)-[(2R)-pyrrolidin-2-yl]methanone
CID 42076609

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(3,4-dimethylphenyl)-2-hydroxyethanone?
The IUPAC name of 2-cyclopropyl-1-(3,4-dimethylphenyl)-2-hydroxyethanone (CID 103455717) is 2-cyclopropyl-1-(3,4-dimethylphenyl)-2-hydroxyethanone.
What is the SMILES notation for 2-cyclopropyl-1-(3,4-dimethylphenyl)-2-hydroxyethanone?
The canonical SMILES for 2-cyclopropyl-1-(3,4-dimethylphenyl)-2-hydroxyethanone is Cc1ccc(C(=O)C(O)C2CC2)cc1C.
What is the InChIKey of 2-cyclopropyl-1-(3,4-dimethylphenyl)-2-hydroxyethanone?
The InChIKey is MOPXONWKBLAWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-8-3-4-11(7-9(8)2)13(15)12(14)10-5-6-10/h3-4,7,10,12,14H,5-6H2,1-2H3.
What are the key properties of 2-cyclopropyl-1-(3,4-dimethylphenyl)-2-hydroxyethanone?
2-cyclopropyl-1-(3,4-dimethylphenyl)-2-hydroxyethanone has a molecular weight of 204.27 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(3,4-dimethylphenyl)-2-hydroxyethanone is sourced from PubChem (CID 103455717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).