(4-bromo-2-methoxyphenyl)-(4-methoxy-2,5-dimethylphenyl)methanol

C17H19BrO3 — CID 115831252

IUPAC(4-bromo-2-methoxyphenyl)-(4-methoxy-2,5-dimethylphenyl)methanol
SMILESCOc1cc(C)c(C(O)c2ccc(Br)cc2OC)cc1C
InChIInChI=1S/C17H19BrO3/c1-10-8-15(20-3)11(2)7-14(10)17(19)13-6-5-12(18)9-16(13)21-4/h5-9,17,19H,1-4H3
InChIKeyBGBWUDQHQXCNMI-UHFFFAOYSA-N
MW351.24 g/mol
LogP4.16
Rot. Bonds4

About (4-bromo-2-methoxyphenyl)-(4-methoxy-2,5-dimethylphenyl)methanol

(4-bromo-2-methoxyphenyl)-(4-methoxy-2,5-dimethylphenyl)methanol (PubChem CID 115831252) has the molecular formula C17H19BrO3 and a molecular weight of 351.24 g/mol. Its IUPAC name is (4-bromo-2-methoxyphenyl)-(4-methoxy-2,5-dimethylphenyl)methanol.

Molecular Properties

Compound Name(4-bromo-2-methoxyphenyl)-(4-methoxy-2,5-dimethylphenyl)methanol
PubChem CID115831252
Molecular FormulaC17H19BrO3
Molecular Weight351.24 g/mol
Exact Mass350.05
IUPAC Name(4-bromo-2-methoxyphenyl)-(4-methoxy-2,5-dimethylphenyl)methanol
SMILESCOc1cc(C)c(C(O)c2ccc(Br)cc2OC)cc1C
InChIInChI=1S/C17H19BrO3/c1-10-8-15(20-3)11(2)7-14(10)17(19)13-6-5-12(18)9-16(13)21-4/h5-9,17,19H,1-4H3
InChIKeyBGBWUDQHQXCNMI-UHFFFAOYSA-N
XLogP4.16
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-bromo-2-methoxyphenyl)-(4-methoxy-2,5-dimethylphenyl)methanol 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

(4-bromo-2-methoxyphenyl)-(4-fluoro-2-methylphenyl)methanol
CID 115794081
(4-bromo-2-methoxyphenyl)-(2,5-dibromophenyl)methanol
CID 115369715
(4-bromo-2-methoxyphenyl)-(2,5-dibromo-4-methylphenyl)methanol
CID 115369780
(4-bromo-2-methoxyphenyl)-(2,3-dimethylphenyl)methanol
CID 115791553
(5-bromo-2-chlorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
CID 61081131
(5-bromo-2-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
CID 61082293
(4-bromo-2-methoxyphenyl)-(2,4,5-trifluorophenyl)methanol
CID 103303339
(2,4-dibromophenyl)-(2,4,5-trimethylphenyl)methanol
CID 107947548
(2,5-dibromothiophen-3-yl)-(4-methoxy-2,5-dimethylphenyl)methanol
CID 107969859
(4-bromo-2-methoxyphenyl)-(2-chloro-4-methoxyphenyl)methanol
CID 115369750
(5-bromo-2-methoxyphenyl)-(4-methoxy-2-methylphenyl)methanol
CID 65313436
(3-bromo-4-methoxyphenyl)-(4-bromo-2-methoxyphenyl)methanol
CID 115369701

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-methoxyphenyl)-(4-methoxy-2,5-dimethylphenyl)methanol?
The IUPAC name of (4-bromo-2-methoxyphenyl)-(4-methoxy-2,5-dimethylphenyl)methanol (CID 115831252) is (4-bromo-2-methoxyphenyl)-(4-methoxy-2,5-dimethylphenyl)methanol.
What is the SMILES notation for (4-bromo-2-methoxyphenyl)-(4-methoxy-2,5-dimethylphenyl)methanol?
The canonical SMILES for (4-bromo-2-methoxyphenyl)-(4-methoxy-2,5-dimethylphenyl)methanol is COc1cc(C)c(C(O)c2ccc(Br)cc2OC)cc1C.
What is the InChIKey of (4-bromo-2-methoxyphenyl)-(4-methoxy-2,5-dimethylphenyl)methanol?
The InChIKey is BGBWUDQHQXCNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrO3/c1-10-8-15(20-3)11(2)7-14(10)17(19)13-6-5-12(18)9-16(13)21-4/h5-9,17,19H,1-4H3.
What are the key properties of (4-bromo-2-methoxyphenyl)-(4-methoxy-2,5-dimethylphenyl)methanol?
(4-bromo-2-methoxyphenyl)-(4-methoxy-2,5-dimethylphenyl)methanol has a molecular weight of 351.24 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-methoxyphenyl)-(4-methoxy-2,5-dimethylphenyl)methanol is sourced from PubChem (CID 115831252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).