1-(2-bromo-3-methylphenyl)-3-(4-methoxyphenyl)propan-1-ol

C17H19BrO2 — CID 107985716

IUPAC1-(2-bromo-3-methylphenyl)-3-(4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(CCC(O)c2cccc(C)c2Br)cc1
InChIInChI=1S/C17H19BrO2/c1-12-4-3-5-15(17(12)18)16(19)11-8-13-6-9-14(20-2)10-7-13/h3-7,9-10,16,19H,8,11H2,1-2H3
InChIKeyGORISXMUFCGKTA-UHFFFAOYSA-N
MW335.24 g/mol
LogP4.43
Rot. Bonds5

About 1-(2-bromo-3-methylphenyl)-3-(4-methoxyphenyl)propan-1-ol

1-(2-bromo-3-methylphenyl)-3-(4-methoxyphenyl)propan-1-ol (PubChem CID 107985716) has the molecular formula C17H19BrO2 and a molecular weight of 335.24 g/mol. Its IUPAC name is 1-(2-bromo-3-methylphenyl)-3-(4-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name1-(2-bromo-3-methylphenyl)-3-(4-methoxyphenyl)propan-1-ol
PubChem CID107985716
Molecular FormulaC17H19BrO2
Molecular Weight335.24 g/mol
Exact Mass334.06
IUPAC Name1-(2-bromo-3-methylphenyl)-3-(4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(CCC(O)c2cccc(C)c2Br)cc1
InChIInChI=1S/C17H19BrO2/c1-12-4-3-5-15(17(12)18)16(19)11-8-13-6-9-14(20-2)10-7-13/h3-7,9-10,16,19H,8,11H2,1-2H3
InChIKeyGORISXMUFCGKTA-UHFFFAOYSA-N
XLogP4.43
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.24
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-bromo-3-methylphenyl)-3-(4-methoxyphenyl)propan-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-chloro-2-methylphenyl)-3-(4-methoxyphenyl)propan-1-ol
CID 107103367
3-(4-methoxyphenyl)-1-(2-methylsulfanylphenyl)propan-1-ol
CID 115803243
1-(2,3-difluoro-4-methylphenyl)-3-(4-methoxyphenyl)propan-1-ol
CID 107516243
1-(2-bromo-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 114024293
1-(2,5-dimethylfuran-3-yl)-3-(4-methoxyphenyl)propan-1-ol
CID 115803168
1-(2-bromo-3-methylphenyl)-5-methylhexan-1-ol
CID 107985814
1-(2-bromo-6-fluorophenyl)-3-(4-methoxyphenyl)propan-1-ol
CID 114885667
1-(2,5-dimethylthiophen-3-yl)-3-(4-methoxyphenyl)propan-1-ol
CID 61086865
1-(3-bromo-2-methylphenyl)-3-(4-methoxyphenyl)propan-1-amine
CID 115864744
1-(3-iodophenyl)-3-(4-methoxyphenyl)propan-1-ol
CID 115803162
1-(2-fluoro-3-methylphenyl)-3-phenylpropan-1-ol
CID 114979028
1-(4-ethylphenyl)-3-(4-methoxyphenyl)propan-1-ol
CID 61089071

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-methylphenyl)-3-(4-methoxyphenyl)propan-1-ol?
The IUPAC name of 1-(2-bromo-3-methylphenyl)-3-(4-methoxyphenyl)propan-1-ol (CID 107985716) is 1-(2-bromo-3-methylphenyl)-3-(4-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 1-(2-bromo-3-methylphenyl)-3-(4-methoxyphenyl)propan-1-ol?
The canonical SMILES for 1-(2-bromo-3-methylphenyl)-3-(4-methoxyphenyl)propan-1-ol is COc1ccc(CCC(O)c2cccc(C)c2Br)cc1.
What is the InChIKey of 1-(2-bromo-3-methylphenyl)-3-(4-methoxyphenyl)propan-1-ol?
The InChIKey is GORISXMUFCGKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrO2/c1-12-4-3-5-15(17(12)18)16(19)11-8-13-6-9-14(20-2)10-7-13/h3-7,9-10,16,19H,8,11H2,1-2H3.
What are the key properties of 1-(2-bromo-3-methylphenyl)-3-(4-methoxyphenyl)propan-1-ol?
1-(2-bromo-3-methylphenyl)-3-(4-methoxyphenyl)propan-1-ol has a molecular weight of 335.24 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-methylphenyl)-3-(4-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 107985716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).