(3-bromo-4-methoxyphenyl)-(2-methoxy-3,4-dimethylphenyl)methanol

C17H19BrO3 — CID 103432477

IUPAC(3-bromo-4-methoxyphenyl)-(2-methoxy-3,4-dimethylphenyl)methanol
SMILESCOc1ccc(C(O)c2ccc(C)c(C)c2OC)cc1Br
InChIInChI=1S/C17H19BrO3/c1-10-5-7-13(17(21-4)11(10)2)16(19)12-6-8-15(20-3)14(18)9-12/h5-9,16,19H,1-4H3
InChIKeyJPDNCAYQGQLBRP-UHFFFAOYSA-N
MW351.24 g/mol
LogP4.16
Rot. Bonds4

About (3-bromo-4-methoxyphenyl)-(2-methoxy-3,4-dimethylphenyl)methanol

(3-bromo-4-methoxyphenyl)-(2-methoxy-3,4-dimethylphenyl)methanol (PubChem CID 103432477) has the molecular formula C17H19BrO3 and a molecular weight of 351.24 g/mol. Its IUPAC name is (3-bromo-4-methoxyphenyl)-(2-methoxy-3,4-dimethylphenyl)methanol.

Molecular Properties

Compound Name(3-bromo-4-methoxyphenyl)-(2-methoxy-3,4-dimethylphenyl)methanol
PubChem CID103432477
Molecular FormulaC17H19BrO3
Molecular Weight351.24 g/mol
Exact Mass350.05
IUPAC Name(3-bromo-4-methoxyphenyl)-(2-methoxy-3,4-dimethylphenyl)methanol
SMILESCOc1ccc(C(O)c2ccc(C)c(C)c2OC)cc1Br
InChIInChI=1S/C17H19BrO3/c1-10-5-7-13(17(21-4)11(10)2)16(19)12-6-8-15(20-3)14(18)9-12/h5-9,16,19H,1-4H3
InChIKeyJPDNCAYQGQLBRP-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

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Related Compounds

(2-methoxy-3,4-dimethylphenyl)-(3-methoxy-4-methylphenyl)methanol
CID 103435788
(3-bromo-4-chlorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanol
CID 103432694
(3,5-dibromophenyl)-(2-methoxy-3,4-dimethylphenyl)methanol
CID 107978788
(3-bromo-4-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanol
CID 61080516
(3-bromo-4-methoxyphenyl)-(2,4-dibromophenyl)methanol
CID 107955289
(3-bromo-4-methoxyphenyl)-(4-bromo-2-methoxyphenyl)methanol
CID 115369701
(3-bromo-4-methoxyphenyl)-(2-methylfuran-3-yl)methanol
CID 61100656
(2-bromo-4-fluorophenyl)-(3-bromo-4-methoxyphenyl)methanol
CID 61101513
[3-(difluoromethyl)phenyl]-(2-methoxy-3,4-dimethylphenyl)methanol
CID 103432669
(4-cyclopropylphenyl)-(2-methoxy-3,4-dimethylphenyl)methanol
CID 103432631
(3-bromo-4-methoxyphenyl)-(2,4-dichlorophenyl)methanol
CID 61100992
(4-bromo-5-chlorothiophen-2-yl)-(2-methoxy-3,4-dimethylphenyl)methanol
CID 103432747

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methoxyphenyl)-(2-methoxy-3,4-dimethylphenyl)methanol?
The IUPAC name of (3-bromo-4-methoxyphenyl)-(2-methoxy-3,4-dimethylphenyl)methanol (CID 103432477) is (3-bromo-4-methoxyphenyl)-(2-methoxy-3,4-dimethylphenyl)methanol.
What is the SMILES notation for (3-bromo-4-methoxyphenyl)-(2-methoxy-3,4-dimethylphenyl)methanol?
The canonical SMILES for (3-bromo-4-methoxyphenyl)-(2-methoxy-3,4-dimethylphenyl)methanol is COc1ccc(C(O)c2ccc(C)c(C)c2OC)cc1Br.
What is the InChIKey of (3-bromo-4-methoxyphenyl)-(2-methoxy-3,4-dimethylphenyl)methanol?
The InChIKey is JPDNCAYQGQLBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrO3/c1-10-5-7-13(17(21-4)11(10)2)16(19)12-6-8-15(20-3)14(18)9-12/h5-9,16,19H,1-4H3.
What are the key properties of (3-bromo-4-methoxyphenyl)-(2-methoxy-3,4-dimethylphenyl)methanol?
(3-bromo-4-methoxyphenyl)-(2-methoxy-3,4-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 (3-bromo-4-methoxyphenyl)-(2-methoxy-3,4-dimethylphenyl)methanol is sourced from PubChem (CID 103432477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).