(4-bromo-3-methylphenyl)-(2,5-dimethoxyphenyl)methanol

C16H17BrO3 — CID 81447590

IUPAC(4-bromo-3-methylphenyl)-(2,5-dimethoxyphenyl)methanol
SMILESCOc1ccc(OC)c(C(O)c2ccc(Br)c(C)c2)c1
InChIInChI=1S/C16H17BrO3/c1-10-8-11(4-6-14(10)17)16(18)13-9-12(19-2)5-7-15(13)20-3/h4-9,16,18H,1-3H3
InChIKeyYXJYDIXNADJMDS-UHFFFAOYSA-N
MW337.21 g/mol
LogP3.86
Rot. Bonds4

About (4-bromo-3-methylphenyl)-(2,5-dimethoxyphenyl)methanol

(4-bromo-3-methylphenyl)-(2,5-dimethoxyphenyl)methanol (PubChem CID 81447590) has the molecular formula C16H17BrO3 and a molecular weight of 337.21 g/mol. Its IUPAC name is (4-bromo-3-methylphenyl)-(2,5-dimethoxyphenyl)methanol.

Molecular Properties

Compound Name(4-bromo-3-methylphenyl)-(2,5-dimethoxyphenyl)methanol
PubChem CID81447590
Molecular FormulaC16H17BrO3
Molecular Weight337.21 g/mol
Exact Mass336.04
IUPAC Name(4-bromo-3-methylphenyl)-(2,5-dimethoxyphenyl)methanol
SMILESCOc1ccc(OC)c(C(O)c2ccc(Br)c(C)c2)c1
InChIInChI=1S/C16H17BrO3/c1-10-8-11(4-6-14(10)17)16(18)13-9-12(19-2)5-7-15(13)20-3/h4-9,16,18H,1-3H3
InChIKeyYXJYDIXNADJMDS-UHFFFAOYSA-N
XLogP3.86
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-3-methylphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82806466
(2,5-dimethoxyphenyl)-(3-methylphenyl)methanol
CID 61099011
(5-bromo-2-methoxy-4-methylphenyl)-(3-methoxyphenyl)methanol
CID 65432396
(3,5-difluorophenyl)-(2,5-dimethoxyphenyl)methanol
CID 61100568
(2,5-dimethoxyphenyl)-(3-fluorophenyl)methanol
CID 61099370
(5-bromo-2-methoxyphenyl)-(4-methoxy-2-methylphenyl)methanol
CID 65313436
(2,5-dimethoxyphenyl)-[4-(dimethylamino)phenyl]methanol
CID 63895776
(R)-(2-bromo-5-methoxyphenyl)-phenylmethanol
CID 124575991
(4-bromo-3,5-dimethylphenyl)-(2,4-dimethoxyphenyl)methanol
CID 114329901
(3-bromo-4-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanol
CID 61080516
(3-bromo-2,6-difluorophenyl)-(2,5-dimethoxyphenyl)methanol
CID 106941240
1,3-benzodioxol-5-yl-(2,5-dimethoxyphenyl)methanol
CID 61099714

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-methylphenyl)-(2,5-dimethoxyphenyl)methanol?
The IUPAC name of (4-bromo-3-methylphenyl)-(2,5-dimethoxyphenyl)methanol (CID 81447590) is (4-bromo-3-methylphenyl)-(2,5-dimethoxyphenyl)methanol.
What is the SMILES notation for (4-bromo-3-methylphenyl)-(2,5-dimethoxyphenyl)methanol?
The canonical SMILES for (4-bromo-3-methylphenyl)-(2,5-dimethoxyphenyl)methanol is COc1ccc(OC)c(C(O)c2ccc(Br)c(C)c2)c1.
What is the InChIKey of (4-bromo-3-methylphenyl)-(2,5-dimethoxyphenyl)methanol?
The InChIKey is YXJYDIXNADJMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrO3/c1-10-8-11(4-6-14(10)17)16(18)13-9-12(19-2)5-7-15(13)20-3/h4-9,16,18H,1-3H3.
What are the key properties of (4-bromo-3-methylphenyl)-(2,5-dimethoxyphenyl)methanol?
(4-bromo-3-methylphenyl)-(2,5-dimethoxyphenyl)methanol has a molecular weight of 337.21 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-methylphenyl)-(2,5-dimethoxyphenyl)methanol is sourced from PubChem (CID 81447590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).