1-(2,5-dichlorophenyl)-3-methoxy-3-methylbutan-1-ol

C12H16Cl2O2 — CID 103027501

IUPAC1-(2,5-dichlorophenyl)-3-methoxy-3-methylbutan-1-ol
SMILESCOC(C)(C)CC(O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H16Cl2O2/c1-12(2,16-3)7-11(15)9-6-8(13)4-5-10(9)14/h4-6,11,15H,7H2,1-3H3
InChIKeyJUUXDBLROYFEKW-UHFFFAOYSA-N
MW263.16 g/mol
LogP3.84
Rot. Bonds4

About 1-(2,5-dichlorophenyl)-3-methoxy-3-methylbutan-1-ol

1-(2,5-dichlorophenyl)-3-methoxy-3-methylbutan-1-ol (PubChem CID 103027501) has the molecular formula C12H16Cl2O2 and a molecular weight of 263.16 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-3-methoxy-3-methylbutan-1-ol.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-3-methoxy-3-methylbutan-1-ol
PubChem CID103027501
Molecular FormulaC12H16Cl2O2
Molecular Weight263.16 g/mol
Exact Mass262.05
IUPAC Name1-(2,5-dichlorophenyl)-3-methoxy-3-methylbutan-1-ol
SMILESCOC(C)(C)CC(O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H16Cl2O2/c1-12(2,16-3)7-11(15)9-6-8(13)4-5-10(9)14/h4-6,11,15H,7H2,1-3H3
InChIKeyJUUXDBLROYFEKW-UHFFFAOYSA-N
XLogP3.84
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.16
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,5-dichlorophenyl)-3-methoxy-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-(4-chlorophenyl)-3-methoxy-3-methylbutan-1-ol
CID 103027660
2-amino-1-(2,5-dichlorophenyl)ethanol
CID 18628108
1-(2,5-dichlorophenyl)-3-(dimethylamino)propan-1-ol
CID 80502462
1-(2,5-dichlorophenyl)-3-methylidenepentan-1-ol
CID 115817515
1-(2,5-dichlorophenyl)-2-(1-methoxypropan-2-ylamino)ethanol
CID 60897086
1-(5-fluoro-2-methoxyphenyl)-3-methoxy-3-methylbutan-1-ol
CID 103027670
methyl 4-amino-4-(2,5-dichlorophenyl)-2,2-dimethylbutanoate
CID 65297367
1-[[2-(2,5-dichlorophenyl)-2-hydroxyethyl]amino]-2-methylbutan-2-ol
CID 65106659
1-(2,5-dichlorophenyl)-2-methoxypropan-1-ol
CID 79615936
1-(2,5-dichlorophenyl)-2-(3,5-dimethylanilino)ethanol
CID 60899526
2-[[2-(2,5-dichlorophenyl)-2-hydroxyethyl]amino]-3-methoxypropan-1-ol
CID 114156111
1-(2,5-dichlorophenyl)-2-(2,6-dichlorophenyl)ethanol
CID 63411090

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-3-methoxy-3-methylbutan-1-ol?
The IUPAC name of 1-(2,5-dichlorophenyl)-3-methoxy-3-methylbutan-1-ol (CID 103027501) is 1-(2,5-dichlorophenyl)-3-methoxy-3-methylbutan-1-ol.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-3-methoxy-3-methylbutan-1-ol?
The canonical SMILES for 1-(2,5-dichlorophenyl)-3-methoxy-3-methylbutan-1-ol is COC(C)(C)CC(O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-3-methoxy-3-methylbutan-1-ol?
The InChIKey is JUUXDBLROYFEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2O2/c1-12(2,16-3)7-11(15)9-6-8(13)4-5-10(9)14/h4-6,11,15H,7H2,1-3H3.
What are the key properties of 1-(2,5-dichlorophenyl)-3-methoxy-3-methylbutan-1-ol?
1-(2,5-dichlorophenyl)-3-methoxy-3-methylbutan-1-ol has a molecular weight of 263.16 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-3-methoxy-3-methylbutan-1-ol is sourced from PubChem (CID 103027501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).