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

C16H16BrClO3 — CID 105057119

IUPAC(4-bromo-2,5-dimethoxyphenyl)-(3-chloro-5-methylphenyl)methanol
SMILESCOc1cc(C(O)c2cc(C)cc(Cl)c2)c(OC)cc1Br
InChIInChI=1S/C16H16BrClO3/c1-9-4-10(6-11(18)5-9)16(19)12-7-15(21-3)13(17)8-14(12)20-2/h4-8,16,19H,1-3H3
InChIKeyCBAJCTIYYROIPZ-UHFFFAOYSA-N
MW371.66 g/mol
LogP4.51
Rot. Bonds4

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

(4-bromo-2,5-dimethoxyphenyl)-(3-chloro-5-methylphenyl)methanol (PubChem CID 105057119) has the molecular formula C16H16BrClO3 and a molecular weight of 371.66 g/mol. Its IUPAC name is (4-bromo-2,5-dimethoxyphenyl)-(3-chloro-5-methylphenyl)methanol.

Molecular Properties

Compound Name(4-bromo-2,5-dimethoxyphenyl)-(3-chloro-5-methylphenyl)methanol
PubChem CID105057119
Molecular FormulaC16H16BrClO3
Molecular Weight371.66 g/mol
Exact Mass370.00
IUPAC Name(4-bromo-2,5-dimethoxyphenyl)-(3-chloro-5-methylphenyl)methanol
SMILESCOc1cc(C(O)c2cc(C)cc(Cl)c2)c(OC)cc1Br
InChIInChI=1S/C16H16BrClO3/c1-9-4-10(6-11(18)5-9)16(19)12-7-15(21-3)13(17)8-14(12)20-2/h4-8,16,19H,1-3H3
InChIKeyCBAJCTIYYROIPZ-UHFFFAOYSA-N
XLogP4.51
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.66
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-5-chlorophenyl)-(4-bromo-2,5-dimethoxyphenyl)methanol
CID 107955776
(3-chloro-5-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanol
CID 81316466
(2-bromo-4,5-dimethoxyphenyl)-(3,5-dimethylphenyl)methanol
CID 61088323
(4-bromo-2,5-dimethoxyphenyl)-(3-chloro-4-fluorophenyl)methanol
CID 105057040
(3-chloro-5-methylphenyl)-(2,5-dibromophenyl)methanol
CID 81324953
1-bromo-4-[bromo-(3,5-dichlorophenyl)methyl]-2,5-dimethoxybenzene
CID 105057429
(2-bromo-4-chlorophenyl)-(4-bromo-2,5-dimethoxyphenyl)methanol
CID 107991354
(4-bromothiophen-3-yl)-(3-chloro-5-methylphenyl)methanol
CID 115820132
(3-bromo-4-ethoxyphenyl)-(3-chloro-5-methylphenyl)methanol
CID 104661029
2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-5-methylphenyl)ethanol
CID 115779493
(5-bromo-2-ethoxyphenyl)-(3-chloro-5-methylphenyl)methanol
CID 81324876
(3-chloro-4-methoxyphenyl)-(3-chloro-5-methylphenyl)methanol
CID 81324307

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,5-dimethoxyphenyl)-(3-chloro-5-methylphenyl)methanol?
The IUPAC name of (4-bromo-2,5-dimethoxyphenyl)-(3-chloro-5-methylphenyl)methanol (CID 105057119) is (4-bromo-2,5-dimethoxyphenyl)-(3-chloro-5-methylphenyl)methanol.
What is the SMILES notation for (4-bromo-2,5-dimethoxyphenyl)-(3-chloro-5-methylphenyl)methanol?
The canonical SMILES for (4-bromo-2,5-dimethoxyphenyl)-(3-chloro-5-methylphenyl)methanol is COc1cc(C(O)c2cc(C)cc(Cl)c2)c(OC)cc1Br.
What is the InChIKey of (4-bromo-2,5-dimethoxyphenyl)-(3-chloro-5-methylphenyl)methanol?
The InChIKey is CBAJCTIYYROIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClO3/c1-9-4-10(6-11(18)5-9)16(19)12-7-15(21-3)13(17)8-14(12)20-2/h4-8,16,19H,1-3H3.
What are the key properties of (4-bromo-2,5-dimethoxyphenyl)-(3-chloro-5-methylphenyl)methanol?
(4-bromo-2,5-dimethoxyphenyl)-(3-chloro-5-methylphenyl)methanol has a molecular weight of 371.66 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2,5-dimethoxyphenyl)-(3-chloro-5-methylphenyl)methanol is sourced from PubChem (CID 105057119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).