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

C16H16Br2O3 — CID 105056944

IUPAC(4-bromo-2,5-dimethoxyphenyl)-(3-bromo-2-methylphenyl)methanol
SMILESCOc1cc(C(O)c2cccc(Br)c2C)c(OC)cc1Br
InChIInChI=1S/C16H16Br2O3/c1-9-10(5-4-6-12(9)17)16(19)11-7-15(21-3)13(18)8-14(11)20-2/h4-8,16,19H,1-3H3
InChIKeyKHRUPVGTKHQZBB-UHFFFAOYSA-N
MW416.11 g/mol
LogP4.62
Rot. Bonds4

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

(4-bromo-2,5-dimethoxyphenyl)-(3-bromo-2-methylphenyl)methanol (PubChem CID 105056944) has the molecular formula C16H16Br2O3 and a molecular weight of 416.11 g/mol. Its IUPAC name is (4-bromo-2,5-dimethoxyphenyl)-(3-bromo-2-methylphenyl)methanol.

Molecular Properties

Compound Name(4-bromo-2,5-dimethoxyphenyl)-(3-bromo-2-methylphenyl)methanol
PubChem CID105056944
Molecular FormulaC16H16Br2O3
Molecular Weight416.11 g/mol
Exact Mass413.95
IUPAC Name(4-bromo-2,5-dimethoxyphenyl)-(3-bromo-2-methylphenyl)methanol
SMILESCOc1cc(C(O)c2cccc(Br)c2C)c(OC)cc1Br
InChIInChI=1S/C16H16Br2O3/c1-9-10(5-4-6-12(9)17)16(19)11-7-15(21-3)13(18)8-14(11)20-2/h4-8,16,19H,1-3H3
InChIKeyKHRUPVGTKHQZBB-UHFFFAOYSA-N
XLogP4.62
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.11
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-2,5-dimethoxyphenyl)-(3-chloro-2-methylphenyl)methanol
CID 107098959
(4-bromo-2,5-dimethoxyphenyl)-(2-bromo-3-methylphenyl)methanol
CID 107983413
(4-bromo-2,5-dimethoxyphenyl)-(2,3-dichlorophenyl)methanol
CID 105057027
(2-bromo-4,5-dimethoxyphenyl)-(2,3-dimethylphenyl)methanol
CID 61087207
(4-bromo-2,5-dimethoxyphenyl)-(3-iodophenyl)methanol
CID 105057022
(4-bromo-2,5-dimethoxyphenyl)-(3-methoxyphenyl)methanol
CID 105057045
(2-bromo-4-chlorophenyl)-(4-bromo-2,5-dimethoxyphenyl)methanol
CID 107991354
(4-bromo-2,5-dimethoxyphenyl)-(4-methylthiophen-3-yl)methanol
CID 105057003
1-bromo-4-[bromo-(2-bromophenyl)methyl]-2,5-dimethoxybenzene
CID 105057367
(4-bromo-2-methoxyphenyl)-(2,3-dimethylphenyl)methanol
CID 115791553
(2-bromo-4,5-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanol
CID 81479752
(5-bromo-2-chlorophenyl)-(4-bromo-2,5-dimethoxyphenyl)methanol
CID 105057050

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,5-dimethoxyphenyl)-(3-bromo-2-methylphenyl)methanol?
The IUPAC name of (4-bromo-2,5-dimethoxyphenyl)-(3-bromo-2-methylphenyl)methanol (CID 105056944) is (4-bromo-2,5-dimethoxyphenyl)-(3-bromo-2-methylphenyl)methanol.
What is the SMILES notation for (4-bromo-2,5-dimethoxyphenyl)-(3-bromo-2-methylphenyl)methanol?
The canonical SMILES for (4-bromo-2,5-dimethoxyphenyl)-(3-bromo-2-methylphenyl)methanol is COc1cc(C(O)c2cccc(Br)c2C)c(OC)cc1Br.
What is the InChIKey of (4-bromo-2,5-dimethoxyphenyl)-(3-bromo-2-methylphenyl)methanol?
The InChIKey is KHRUPVGTKHQZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2O3/c1-9-10(5-4-6-12(9)17)16(19)11-7-15(21-3)13(18)8-14(11)20-2/h4-8,16,19H,1-3H3.
What are the key properties of (4-bromo-2,5-dimethoxyphenyl)-(3-bromo-2-methylphenyl)methanol?
(4-bromo-2,5-dimethoxyphenyl)-(3-bromo-2-methylphenyl)methanol has a molecular weight of 416.11 g/mol, XLogP of 4.62, 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-bromo-2-methylphenyl)methanol is sourced from PubChem (CID 105056944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).