1-(4-chloro-3-methoxyphenyl)-3-methylbutan-1-ol

C12H17ClO2 — CID 79699856

IUPAC1-(4-chloro-3-methoxyphenyl)-3-methylbutan-1-ol
SMILESCOc1cc(C(O)CC(C)C)ccc1Cl
InChIInChI=1S/C12H17ClO2/c1-8(2)6-11(14)9-4-5-10(13)12(7-9)15-3/h4-5,7-8,11,14H,6H2,1-3H3
InChIKeyMHCINCXXLQIXOF-UHFFFAOYSA-N
MW228.72 g/mol
LogP3.43
Rot. Bonds4

About 1-(4-chloro-3-methoxyphenyl)-3-methylbutan-1-ol

1-(4-chloro-3-methoxyphenyl)-3-methylbutan-1-ol (PubChem CID 79699856) has the molecular formula C12H17ClO2 and a molecular weight of 228.72 g/mol. Its IUPAC name is 1-(4-chloro-3-methoxyphenyl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name1-(4-chloro-3-methoxyphenyl)-3-methylbutan-1-ol
PubChem CID79699856
Molecular FormulaC12H17ClO2
Molecular Weight228.72 g/mol
Exact Mass228.09
IUPAC Name1-(4-chloro-3-methoxyphenyl)-3-methylbutan-1-ol
SMILESCOc1cc(C(O)CC(C)C)ccc1Cl
InChIInChI=1S/C12H17ClO2/c1-8(2)6-11(14)9-4-5-10(13)12(7-9)15-3/h4-5,7-8,11,14H,6H2,1-3H3
InChIKeyMHCINCXXLQIXOF-UHFFFAOYSA-N
XLogP3.43
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-chloro-3-methoxyphenyl)-3-methylbutan-1-ol 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

1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol
CID 58450006
1-(4-chloro-3-methoxyphenyl)-3-phenylbutan-1-ol
CID 79700071
3-amino-1-(4-chloro-3-methoxyphenyl)propan-1-ol
CID 84784431
1-(4-chloro-3-methoxyphenyl)-2-methylbutan-1-ol
CID 79699849
2-butan-2-ylsulfanyl-1-(4-chloro-3-methoxyphenyl)ethanol
CID 79699095
1-(4-chloro-3-methoxyphenyl)decan-1-ol
CID 115817958
1-(4-chloro-3-methoxyphenyl)octan-1-ol
CID 79697126
1-chloro-4-(difluoromethyl)-2-methoxybenzene
CID 84664383
4-(4-bromopentan-2-yl)-1-chloro-2-methoxybenzene
CID 79700193
1-(4-chloro-3-methoxyphenyl)-2-methylpentan-1-ol
CID 79697692
1-(4-chloro-3-methoxyphenyl)-2-(3-methoxyphenyl)ethanol
CID 79697442
1-(4-chloro-3-methoxyphenyl)-2-(2-methoxyethylamino)ethanol
CID 79699447

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methoxyphenyl)-3-methylbutan-1-ol?
The IUPAC name of 1-(4-chloro-3-methoxyphenyl)-3-methylbutan-1-ol (CID 79699856) is 1-(4-chloro-3-methoxyphenyl)-3-methylbutan-1-ol.
What is the SMILES notation for 1-(4-chloro-3-methoxyphenyl)-3-methylbutan-1-ol?
The canonical SMILES for 1-(4-chloro-3-methoxyphenyl)-3-methylbutan-1-ol is COc1cc(C(O)CC(C)C)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-methoxyphenyl)-3-methylbutan-1-ol?
The InChIKey is MHCINCXXLQIXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClO2/c1-8(2)6-11(14)9-4-5-10(13)12(7-9)15-3/h4-5,7-8,11,14H,6H2,1-3H3.
What are the key properties of 1-(4-chloro-3-methoxyphenyl)-3-methylbutan-1-ol?
1-(4-chloro-3-methoxyphenyl)-3-methylbutan-1-ol has a molecular weight of 228.72 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methoxyphenyl)-3-methylbutan-1-ol is sourced from PubChem (CID 79699856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).