1-(5-chloro-2-methoxyphenyl)-3,3-dimethylbutan-2-ol

C13H19ClO2 — CID 62606334

IUPAC1-(5-chloro-2-methoxyphenyl)-3,3-dimethylbutan-2-ol
SMILESCOc1ccc(Cl)cc1CC(O)C(C)(C)C
InChIInChI=1S/C13H19ClO2/c1-13(2,3)12(15)8-9-7-10(14)5-6-11(9)16-4/h5-7,12,15H,8H2,1-4H3
InChIKeyGSVGEYQGXNCSKP-UHFFFAOYSA-N
MW242.75 g/mol
LogP3.30
Rot. Bonds3

About 1-(5-chloro-2-methoxyphenyl)-3,3-dimethylbutan-2-ol

1-(5-chloro-2-methoxyphenyl)-3,3-dimethylbutan-2-ol (PubChem CID 62606334) has the molecular formula C13H19ClO2 and a molecular weight of 242.75 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3,3-dimethylbutan-2-ol
PubChem CID62606334
Molecular FormulaC13H19ClO2
Molecular Weight242.75 g/mol
Exact Mass242.11
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3,3-dimethylbutan-2-ol
SMILESCOc1ccc(Cl)cc1CC(O)C(C)(C)C
InChIInChI=1S/C13H19ClO2/c1-13(2,3)12(15)8-9-7-10(14)5-6-11(9)16-4/h5-7,12,15H,8H2,1-4H3
InChIKeyGSVGEYQGXNCSKP-UHFFFAOYSA-N
XLogP3.30
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(5-chloro-2-methoxyphenyl)-3,3-dimethylbutan-2-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-(5-chloro-2-methoxyphenyl)-3-ethylpentane-2,3-diol
CID 103449379
1-(5-chloro-2-methoxyphenyl)-3,4,4-trimethylpentan-2-ol
CID 114270657
1-(5-chloro-2-methoxyphenyl)-3-(diethylamino)-3-methylbutan-2-ol
CID 79053243
1-(5-chloro-2-methoxyphenyl)-3-(2-methoxyphenyl)propan-2-ol
CID 62608604
1-(5-chloro-2-methoxyphenyl)-N-ethyl-3,3-dimethylbutan-2-amine
CID 62601354
1-(5-chloro-2-methoxyphenyl)-3-methylbutan-2-amine
CID 62602017
1-(5-chloro-2-methoxyphenyl)-4,4-dimethylpentan-2-amine
CID 63891932
1-(5-chloro-2-methoxyphenyl)-2-methylpentan-3-ol
CID 63562020
N-tert-butyl-2-[(5-chloro-2-methoxyphenyl)methyl]-3-methylbutan-1-amine
CID 63521687
1-(4-chloro-2-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanol
CID 63083648
1-(5-chloro-2-methoxyphenyl)-3-propylhexan-2-ol
CID 115788751
4-chloro-2-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxybenzene
CID 626547

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3,3-dimethylbutan-2-ol?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3,3-dimethylbutan-2-ol (CID 62606334) is 1-(5-chloro-2-methoxyphenyl)-3,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3,3-dimethylbutan-2-ol?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3,3-dimethylbutan-2-ol is COc1ccc(Cl)cc1CC(O)C(C)(C)C.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3,3-dimethylbutan-2-ol?
The InChIKey is GSVGEYQGXNCSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClO2/c1-13(2,3)12(15)8-9-7-10(14)5-6-11(9)16-4/h5-7,12,15H,8H2,1-4H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3,3-dimethylbutan-2-ol?
1-(5-chloro-2-methoxyphenyl)-3,3-dimethylbutan-2-ol has a molecular weight of 242.75 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3,3-dimethylbutan-2-ol is sourced from PubChem (CID 62606334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).