1-(3-chlorophenyl)-2-cyclopropylpropan-2-ol

C12H15ClO — CID 60798785

IUPAC1-(3-chlorophenyl)-2-cyclopropylpropan-2-ol
SMILESCC(O)(Cc1cccc(Cl)c1)C1CC1
InChIInChI=1S/C12H15ClO/c1-12(14,10-5-6-10)8-9-3-2-4-11(13)7-9/h2-4,7,10,14H,5-6,8H2,1H3
InChIKeyXFYBHFBKQQXABQ-UHFFFAOYSA-N
MW210.70 g/mol
LogP3.04
Rot. Bonds3

About 1-(3-chlorophenyl)-2-cyclopropylpropan-2-ol

1-(3-chlorophenyl)-2-cyclopropylpropan-2-ol (PubChem CID 60798785) has the molecular formula C12H15ClO and a molecular weight of 210.70 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-cyclopropylpropan-2-ol.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-cyclopropylpropan-2-ol
PubChem CID60798785
Molecular FormulaC12H15ClO
Molecular Weight210.70 g/mol
Exact Mass210.08
IUPAC Name1-(3-chlorophenyl)-2-cyclopropylpropan-2-ol
SMILESCC(O)(Cc1cccc(Cl)c1)C1CC1
InChIInChI=1S/C12H15ClO/c1-12(14,10-5-6-10)8-9-3-2-4-11(13)7-9/h2-4,7,10,14H,5-6,8H2,1H3
InChIKeyXFYBHFBKQQXABQ-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 102600712
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1-chloro-3-(2,2,2-tribromoethyl)benzene
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1-(2-chloro-3-fluorophenyl)-2-cyclopropylpropan-2-ol
CID 112652956
2-[1-(3-chlorophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine
CID 64764440
1-(3-chlorophenyl)-2-methylhex-5-en-2-ol
CID 104656378
1-(3-chlorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-amine
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2-(3-ethylcyclohexyl)-1-(3-fluorophenyl)propan-2-ol
CID 114833429
4-tert-butyl-N-[(3-chlorophenyl)methyl]cycloheptan-1-amine
CID 65089981
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CID 164927220

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-cyclopropylpropan-2-ol?
The IUPAC name of 1-(3-chlorophenyl)-2-cyclopropylpropan-2-ol (CID 60798785) is 1-(3-chlorophenyl)-2-cyclopropylpropan-2-ol.
What is the SMILES notation for 1-(3-chlorophenyl)-2-cyclopropylpropan-2-ol?
The canonical SMILES for 1-(3-chlorophenyl)-2-cyclopropylpropan-2-ol is CC(O)(Cc1cccc(Cl)c1)C1CC1.
What is the InChIKey of 1-(3-chlorophenyl)-2-cyclopropylpropan-2-ol?
The InChIKey is XFYBHFBKQQXABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO/c1-12(14,10-5-6-10)8-9-3-2-4-11(13)7-9/h2-4,7,10,14H,5-6,8H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-2-cyclopropylpropan-2-ol?
1-(3-chlorophenyl)-2-cyclopropylpropan-2-ol has a molecular weight of 210.70 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-cyclopropylpropan-2-ol is sourced from PubChem (CID 60798785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).