1-(3-chloro-4-methylphenyl)-2-cyclopropyl-2-methoxyethanol

C13H17ClO2 — CID 107560146

IUPAC1-(3-chloro-4-methylphenyl)-2-cyclopropyl-2-methoxyethanol
SMILESCOC(C1CC1)C(O)c1ccc(C)c(Cl)c1
InChIInChI=1S/C13H17ClO2/c1-8-3-4-10(7-11(8)14)12(15)13(16-2)9-5-6-9/h3-4,7,9,12-13,15H,5-6H2,1-2H3
InChIKeyIKMNERPXUFDNBH-UHFFFAOYSA-N
MW240.73 g/mol
LogP3.11
Rot. Bonds4

About 1-(3-chloro-4-methylphenyl)-2-cyclopropyl-2-methoxyethanol

1-(3-chloro-4-methylphenyl)-2-cyclopropyl-2-methoxyethanol (PubChem CID 107560146) has the molecular formula C13H17ClO2 and a molecular weight of 240.73 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-2-cyclopropyl-2-methoxyethanol.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-2-cyclopropyl-2-methoxyethanol
PubChem CID107560146
Molecular FormulaC13H17ClO2
Molecular Weight240.73 g/mol
Exact Mass240.09
IUPAC Name1-(3-chloro-4-methylphenyl)-2-cyclopropyl-2-methoxyethanol
SMILESCOC(C1CC1)C(O)c1ccc(C)c(Cl)c1
InChIInChI=1S/C13H17ClO2/c1-8-3-4-10(7-11(8)14)12(15)13(16-2)9-5-6-9/h3-4,7,9,12-13,15H,5-6H2,1-2H3
InChIKeyIKMNERPXUFDNBH-UHFFFAOYSA-N
XLogP3.11
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-chloro-4-methylphenyl)-2-cyclopropyl-2-methoxyethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclopropyl-1-(3,4-difluorophenyl)-2-methoxyethanol
CID 116712647
1-(3-chlorophenyl)-2-cyclopropyl-2-methoxyethanol
CID 116712514
2-cyclopropyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxyethanol
CID 107288626
methyl 3-(3-chloro-4-methylphenyl)-2,3-dihydroxypropanoate
CID 171863615
methyl 3-(3-chloro-4-methylphenyl)-3-hydroxy-2-methylpropanoate
CID 106818489
2-cyclopropyl-2-methoxy-1-thiophen-3-ylethanol
CID 116712674
1-(3-chloro-4-methylphenyl)-2-cyclopropylpropan-1-amine
CID 107561849
1-(3-chloro-4-methylphenyl)-2-cycloheptylethanol
CID 107562179
(1R,2S)-2-amino-2-(3-chloro-4-methylphenyl)-1-cyclohexylethanol
CID 171267974
3-amino-1-(3-chloro-4-methylphenyl)propane-1,2-diol
CID 170827605
2-cyclohexyl-2-methoxy-1-(4-methoxyphenyl)ethanol
CID 116756367
3-(3-chloro-4-methylphenyl)-3-cyclopropylpropanoic acid
CID 83824648

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-2-cyclopropyl-2-methoxyethanol?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-2-cyclopropyl-2-methoxyethanol (CID 107560146) is 1-(3-chloro-4-methylphenyl)-2-cyclopropyl-2-methoxyethanol.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-2-cyclopropyl-2-methoxyethanol?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-2-cyclopropyl-2-methoxyethanol is COC(C1CC1)C(O)c1ccc(C)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-2-cyclopropyl-2-methoxyethanol?
The InChIKey is IKMNERPXUFDNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClO2/c1-8-3-4-10(7-11(8)14)12(15)13(16-2)9-5-6-9/h3-4,7,9,12-13,15H,5-6H2,1-2H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)-2-cyclopropyl-2-methoxyethanol?
1-(3-chloro-4-methylphenyl)-2-cyclopropyl-2-methoxyethanol has a molecular weight of 240.73 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-2-cyclopropyl-2-methoxyethanol is sourced from PubChem (CID 107560146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).