1-(3-chloro-2-methylphenyl)-2-cyclopropylethanol

C12H15ClO — CID 107103370

IUPAC1-(3-chloro-2-methylphenyl)-2-cyclopropylethanol
SMILESCc1c(Cl)cccc1C(O)CC1CC1
InChIInChI=1S/C12H15ClO/c1-8-10(3-2-4-11(8)13)12(14)7-9-5-6-9/h2-4,9,12,14H,5-7H2,1H3
InChIKeyPWXIKCAHDBVKTJ-UHFFFAOYSA-N
MW210.70 g/mol
LogP3.48
Rot. Bonds3

About 1-(3-chloro-2-methylphenyl)-2-cyclopropylethanol

1-(3-chloro-2-methylphenyl)-2-cyclopropylethanol (PubChem CID 107103370) has the molecular formula C12H15ClO and a molecular weight of 210.70 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-2-cyclopropylethanol.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-2-cyclopropylethanol
PubChem CID107103370
Molecular FormulaC12H15ClO
Molecular Weight210.70 g/mol
Exact Mass210.08
IUPAC Name1-(3-chloro-2-methylphenyl)-2-cyclopropylethanol
SMILESCc1c(Cl)cccc1C(O)CC1CC1
InChIInChI=1S/C12H15ClO/c1-8-10(3-2-4-11(8)13)12(14)7-9-5-6-9/h2-4,9,12,14H,5-7H2,1H3
InChIKeyPWXIKCAHDBVKTJ-UHFFFAOYSA-N
XLogP3.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.70
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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1-(3-chloro-2-methylphenyl)-2-(2,6-dichlorophenyl)ethanol
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1-(3-chloro-2-methylphenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
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1-(3-chloro-2-methylphenyl)-5,5,5-trifluoropentan-1-ol
CID 107103457
1-(2-tert-butylphenyl)-2-cyclopropylethanol
CID 115804027
1-(3-fluoro-2-methylphenyl)-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanol
CID 150617333
1-(3-chloro-2-methylphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
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[1-(3-chloro-2-methylphenyl)-3-cyclohexylpropyl]hydrazine
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3-chloro-1-(3-chloro-2-methylphenyl)propane-1,2-diol
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1-(3-chloro-2-methylphenyl)prop-2-yn-1-ol
CID 107103388

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-2-cyclopropylethanol?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-2-cyclopropylethanol (CID 107103370) is 1-(3-chloro-2-methylphenyl)-2-cyclopropylethanol.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-2-cyclopropylethanol?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-2-cyclopropylethanol is Cc1c(Cl)cccc1C(O)CC1CC1.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-2-cyclopropylethanol?
The InChIKey is PWXIKCAHDBVKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO/c1-8-10(3-2-4-11(8)13)12(14)7-9-5-6-9/h2-4,9,12,14H,5-7H2,1H3.
What are the key properties of 1-(3-chloro-2-methylphenyl)-2-cyclopropylethanol?
1-(3-chloro-2-methylphenyl)-2-cyclopropylethanol has a molecular weight of 210.70 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)-2-cyclopropylethanol is sourced from PubChem (CID 107103370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).