(5-bromo-2-methoxyphenyl)-(2-methoxy-4,6-dimethylphenyl)methanol

C17H19BrO3 — CID 106679531

IUPAC(5-bromo-2-methoxyphenyl)-(2-methoxy-4,6-dimethylphenyl)methanol
SMILESCOc1ccc(Br)cc1C(O)c1c(C)cc(C)cc1OC
InChIInChI=1S/C17H19BrO3/c1-10-7-11(2)16(15(8-10)21-4)17(19)13-9-12(18)5-6-14(13)20-3/h5-9,17,19H,1-4H3
InChIKeyYLIGDMVPOGLWLT-UHFFFAOYSA-N
MW351.24 g/mol
LogP4.16
Rot. Bonds4

About (5-bromo-2-methoxyphenyl)-(2-methoxy-4,6-dimethylphenyl)methanol

(5-bromo-2-methoxyphenyl)-(2-methoxy-4,6-dimethylphenyl)methanol (PubChem CID 106679531) has the molecular formula C17H19BrO3 and a molecular weight of 351.24 g/mol. Its IUPAC name is (5-bromo-2-methoxyphenyl)-(2-methoxy-4,6-dimethylphenyl)methanol.

Molecular Properties

Compound Name(5-bromo-2-methoxyphenyl)-(2-methoxy-4,6-dimethylphenyl)methanol
PubChem CID106679531
Molecular FormulaC17H19BrO3
Molecular Weight351.24 g/mol
Exact Mass350.05
IUPAC Name(5-bromo-2-methoxyphenyl)-(2-methoxy-4,6-dimethylphenyl)methanol
SMILESCOc1ccc(Br)cc1C(O)c1c(C)cc(C)cc1OC
InChIInChI=1S/C17H19BrO3/c1-10-7-11(2)16(15(8-10)21-4)17(19)13-9-12(18)5-6-14(13)20-3/h5-9,17,19H,1-4H3
InChIKeyYLIGDMVPOGLWLT-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

(3-bromophenyl)-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106679553
(2-chloro-3-methylphenyl)-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106682622
(4-bromothiophen-2-yl)-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106680190
(3-bromo-4-methylphenyl)-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106679797
(5-bromo-2-methoxyphenyl)-(4-methoxy-2-methylphenyl)methanol
CID 65313436
(2-amino-5-bromophenyl)-(2-methoxy-5-methylphenyl)methanol
CID 82704014
(4-chloro-2-fluorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106679789
(2-fluoro-4-methoxyphenyl)-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106680266
(4-bromo-2-methylphenyl)-(5-chloro-2-methoxyphenyl)methanol
CID 104546259
2,3-dihydro-1H-indol-7-yl-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106679754
(2-methoxy-5-methylphenyl)-(2,3,5,6-tetramethylphenyl)methanol
CID 62503375
1-(5-bromo-2-methoxyphenyl)-2-methylbutan-1-ol
CID 61101002

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methoxyphenyl)-(2-methoxy-4,6-dimethylphenyl)methanol?
The IUPAC name of (5-bromo-2-methoxyphenyl)-(2-methoxy-4,6-dimethylphenyl)methanol (CID 106679531) is (5-bromo-2-methoxyphenyl)-(2-methoxy-4,6-dimethylphenyl)methanol.
What is the SMILES notation for (5-bromo-2-methoxyphenyl)-(2-methoxy-4,6-dimethylphenyl)methanol?
The canonical SMILES for (5-bromo-2-methoxyphenyl)-(2-methoxy-4,6-dimethylphenyl)methanol is COc1ccc(Br)cc1C(O)c1c(C)cc(C)cc1OC.
What is the InChIKey of (5-bromo-2-methoxyphenyl)-(2-methoxy-4,6-dimethylphenyl)methanol?
The InChIKey is YLIGDMVPOGLWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrO3/c1-10-7-11(2)16(15(8-10)21-4)17(19)13-9-12(18)5-6-14(13)20-3/h5-9,17,19H,1-4H3.
What are the key properties of (5-bromo-2-methoxyphenyl)-(2-methoxy-4,6-dimethylphenyl)methanol?
(5-bromo-2-methoxyphenyl)-(2-methoxy-4,6-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 (5-bromo-2-methoxyphenyl)-(2-methoxy-4,6-dimethylphenyl)methanol is sourced from PubChem (CID 106679531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).