(2-chloro-4-methylphenyl)-cyclopropylmethanol

C11H13ClO — CID 58392529

IUPAC(2-chloro-4-methylphenyl)-cyclopropylmethanol
SMILESCc1ccc(C(O)C2CC2)c(Cl)c1
InChIInChI=1S/C11H13ClO/c1-7-2-5-9(10(12)6-7)11(13)8-3-4-8/h2,5-6,8,11,13H,3-4H2,1H3
InChIKeyQMJJZZHVVPOYBV-UHFFFAOYSA-N
MW196.68 g/mol
LogP3.09
Rot. Bonds2

About (2-chloro-4-methylphenyl)-cyclopropylmethanol

(2-chloro-4-methylphenyl)-cyclopropylmethanol (PubChem CID 58392529) has the molecular formula C11H13ClO and a molecular weight of 196.68 g/mol. Its IUPAC name is (2-chloro-4-methylphenyl)-cyclopropylmethanol.

Molecular Properties

Compound Name(2-chloro-4-methylphenyl)-cyclopropylmethanol
PubChem CID58392529
Molecular FormulaC11H13ClO
Molecular Weight196.68 g/mol
Exact Mass196.07
IUPAC Name(2-chloro-4-methylphenyl)-cyclopropylmethanol
SMILESCc1ccc(C(O)C2CC2)c(Cl)c1
InChIInChI=1S/C11H13ClO/c1-7-2-5-9(10(12)6-7)11(13)8-3-4-8/h2,5-6,8,11,13H,3-4H2,1H3
InChIKeyQMJJZZHVVPOYBV-UHFFFAOYSA-N
XLogP3.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-chloro-4-methylphenyl)-cyclopropylmethanamine
CID 55268482
(2-chloro-4-fluorophenyl)-cyclopropylmethanol
CID 58392404
(2-bromo-5-methylphenyl)-cyclopropylmethanol
CID 115810293
(2-chloro-4-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 106859418
cycloheptyl-(2,4-dimethylphenyl)methanol
CID 55199424
(5-bromo-2-chlorophenyl)-cyclopropylmethanol
CID 115810196
cyclobutyl-(2-fluoro-4-methylphenyl)methanol
CID 115837888
(S)-(2-chloro-4-methylphenyl)-cyclobutylmethanamine
CID 99737681
(2-bromo-4-methylphenyl)-cycloheptylmethanol
CID 82928098
cyclohexyl-(2-fluoro-4-methylphenyl)methanol
CID 115802084
(2-chloro-4-methylphenyl)-cycloheptylmethanamine
CID 106858433
1-(2-chloro-4-methylphenyl)-2-(methylamino)ethanol
CID 83699915

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-methylphenyl)-cyclopropylmethanol?
The IUPAC name of (2-chloro-4-methylphenyl)-cyclopropylmethanol (CID 58392529) is (2-chloro-4-methylphenyl)-cyclopropylmethanol.
What is the SMILES notation for (2-chloro-4-methylphenyl)-cyclopropylmethanol?
The canonical SMILES for (2-chloro-4-methylphenyl)-cyclopropylmethanol is Cc1ccc(C(O)C2CC2)c(Cl)c1.
What is the InChIKey of (2-chloro-4-methylphenyl)-cyclopropylmethanol?
The InChIKey is QMJJZZHVVPOYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO/c1-7-2-5-9(10(12)6-7)11(13)8-3-4-8/h2,5-6,8,11,13H,3-4H2,1H3.
What are the key properties of (2-chloro-4-methylphenyl)-cyclopropylmethanol?
(2-chloro-4-methylphenyl)-cyclopropylmethanol has a molecular weight of 196.68 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-methylphenyl)-cyclopropylmethanol is sourced from PubChem (CID 58392529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).