1-(2-chlorophenyl)-2-cyclopropyl-2-hydroxyethanone

C11H11ClO2 — CID 103455715

IUPAC1-(2-chlorophenyl)-2-cyclopropyl-2-hydroxyethanone
SMILESO=C(c1ccccc1Cl)C(O)C1CC1
InChIInChI=1S/C11H11ClO2/c12-9-4-2-1-3-8(9)11(14)10(13)7-5-6-7/h1-4,7,10,13H,5-6H2
InChIKeyCWFABCDPQHPZIU-UHFFFAOYSA-N
MW210.66 g/mol
LogP2.29
Rot. Bonds3

About 1-(2-chlorophenyl)-2-cyclopropyl-2-hydroxyethanone

1-(2-chlorophenyl)-2-cyclopropyl-2-hydroxyethanone (PubChem CID 103455715) has the molecular formula C11H11ClO2 and a molecular weight of 210.66 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-cyclopropyl-2-hydroxyethanone.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-cyclopropyl-2-hydroxyethanone
PubChem CID103455715
Molecular FormulaC11H11ClO2
Molecular Weight210.66 g/mol
Exact Mass210.04
IUPAC Name1-(2-chlorophenyl)-2-cyclopropyl-2-hydroxyethanone
SMILESO=C(c1ccccc1Cl)C(O)C1CC1
InChIInChI=1S/C11H11ClO2/c12-9-4-2-1-3-8(9)11(14)10(13)7-5-6-7/h1-4,7,10,13H,5-6H2
InChIKeyCWFABCDPQHPZIU-UHFFFAOYSA-N
XLogP2.29
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-chloro-1-(2-chlorophenyl)propan-1-one
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(2-chlorophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 21025470
3-(3-chloro-2-fluorophenyl)-1-cyclopropyl-1-hydroxypropan-2-one
CID 103456031
N-(2-amino-1-cyclopropylethyl)-2-chlorobenzamide
CID 65188374
1-(2-chlorophenyl)ethanone;hydrochloride
CID 174743581
1-(1-benzothiophen-7-yl)-2-cyclohexyl-2-hydroxyethanone
CID 103457692
2-cyclopropyl-2-hydroxy-1-pyridin-3-ylethanone
CID 103455714
2-chloro-N-(2,2,2-trichloro-1-hydroxyethyl)benzamide
CID 3574843
1-(2-chlorophenyl)-2-methylsulfonylpropan-1-one
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CID 116565139

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-cyclopropyl-2-hydroxyethanone?
The IUPAC name of 1-(2-chlorophenyl)-2-cyclopropyl-2-hydroxyethanone (CID 103455715) is 1-(2-chlorophenyl)-2-cyclopropyl-2-hydroxyethanone.
What is the SMILES notation for 1-(2-chlorophenyl)-2-cyclopropyl-2-hydroxyethanone?
The canonical SMILES for 1-(2-chlorophenyl)-2-cyclopropyl-2-hydroxyethanone is O=C(c1ccccc1Cl)C(O)C1CC1.
What is the InChIKey of 1-(2-chlorophenyl)-2-cyclopropyl-2-hydroxyethanone?
The InChIKey is CWFABCDPQHPZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO2/c12-9-4-2-1-3-8(9)11(14)10(13)7-5-6-7/h1-4,7,10,13H,5-6H2.
What are the key properties of 1-(2-chlorophenyl)-2-cyclopropyl-2-hydroxyethanone?
1-(2-chlorophenyl)-2-cyclopropyl-2-hydroxyethanone has a molecular weight of 210.66 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-cyclopropyl-2-hydroxyethanone is sourced from PubChem (CID 103455715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).