2-cyclopropyl-2-hydroxy-1-(3-methylphenyl)ethanone

C12H14O2 — CID 103455848

IUPAC2-cyclopropyl-2-hydroxy-1-(3-methylphenyl)ethanone
SMILESCc1cccc(C(=O)C(O)C2CC2)c1
InChIInChI=1S/C12H14O2/c1-8-3-2-4-10(7-8)12(14)11(13)9-5-6-9/h2-4,7,9,11,13H,5-6H2,1H3
InChIKeyBTXXYUNTDAFBSH-UHFFFAOYSA-N
MW190.24 g/mol
LogP1.95
Rot. Bonds3

About 2-cyclopropyl-2-hydroxy-1-(3-methylphenyl)ethanone

2-cyclopropyl-2-hydroxy-1-(3-methylphenyl)ethanone (PubChem CID 103455848) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 2-cyclopropyl-2-hydroxy-1-(3-methylphenyl)ethanone.

Molecular Properties

Compound Name2-cyclopropyl-2-hydroxy-1-(3-methylphenyl)ethanone
PubChem CID103455848
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name2-cyclopropyl-2-hydroxy-1-(3-methylphenyl)ethanone
SMILESCc1cccc(C(=O)C(O)C2CC2)c1
InChIInChI=1S/C12H14O2/c1-8-3-2-4-10(7-8)12(14)11(13)9-5-6-9/h2-4,7,9,11,13H,5-6H2,1H3
InChIKeyBTXXYUNTDAFBSH-UHFFFAOYSA-N
XLogP1.95
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-bis(3-methylphenyl)propan-1-one
CID 145487890
1-(3-methylphenyl)-2-phenylpropan-1-one
CID 13096072
bis(3-methylphenyl)methanone
CID 17848
N-(2-amino-2-cyclopropylethyl)-3-methylbenzamide
CID 63765168
2-methyl-3-(3-methylphenyl)-3-oxopropanamide
CID 121217094
[1,3-bis(3-methylphenyl)-1,3-dioxopropan-2-yl]phosphonic acid
CID 66796244
cyclobutyl 3-methylbenzoate
CID 530470
[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 71783046
N-(2-cyclopentyl-2-hydroxyethyl)-3-methylbenzamide
CID 111425752
2-(methylamino)-1-(3-methylphenyl)propan-1-one;hydrochloride
CID 71750436
3-methylbenzoic acid
CID 7418
(3-methylbenzoyl)azanium
CID 153183849

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-hydroxy-1-(3-methylphenyl)ethanone?
The IUPAC name of 2-cyclopropyl-2-hydroxy-1-(3-methylphenyl)ethanone (CID 103455848) is 2-cyclopropyl-2-hydroxy-1-(3-methylphenyl)ethanone.
What is the SMILES notation for 2-cyclopropyl-2-hydroxy-1-(3-methylphenyl)ethanone?
The canonical SMILES for 2-cyclopropyl-2-hydroxy-1-(3-methylphenyl)ethanone is Cc1cccc(C(=O)C(O)C2CC2)c1.
What is the InChIKey of 2-cyclopropyl-2-hydroxy-1-(3-methylphenyl)ethanone?
The InChIKey is BTXXYUNTDAFBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-8-3-2-4-10(7-8)12(14)11(13)9-5-6-9/h2-4,7,9,11,13H,5-6H2,1H3.
What are the key properties of 2-cyclopropyl-2-hydroxy-1-(3-methylphenyl)ethanone?
2-cyclopropyl-2-hydroxy-1-(3-methylphenyl)ethanone has a molecular weight of 190.24 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-hydroxy-1-(3-methylphenyl)ethanone is sourced from PubChem (CID 103455848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).