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

C15H13BrCl2O3 — CID 105057027

IUPAC(4-bromo-2,5-dimethoxyphenyl)-(2,3-dichlorophenyl)methanol
SMILESCOc1cc(C(O)c2cccc(Cl)c2Cl)c(OC)cc1Br
InChIInChI=1S/C15H13BrCl2O3/c1-20-12-7-10(16)13(21-2)6-9(12)15(19)8-4-3-5-11(17)14(8)18/h3-7,15,19H,1-2H3
InChIKeyNUVBWUKYJXXAMS-UHFFFAOYSA-N
MW392.08 g/mol
LogP4.85
Rot. Bonds4

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

(4-bromo-2,5-dimethoxyphenyl)-(2,3-dichlorophenyl)methanol (PubChem CID 105057027) has the molecular formula C15H13BrCl2O3 and a molecular weight of 392.08 g/mol. Its IUPAC name is (4-bromo-2,5-dimethoxyphenyl)-(2,3-dichlorophenyl)methanol.

Molecular Properties

Compound Name(4-bromo-2,5-dimethoxyphenyl)-(2,3-dichlorophenyl)methanol
PubChem CID105057027
Molecular FormulaC15H13BrCl2O3
Molecular Weight392.08 g/mol
Exact Mass389.94
IUPAC Name(4-bromo-2,5-dimethoxyphenyl)-(2,3-dichlorophenyl)methanol
SMILESCOc1cc(C(O)c2cccc(Cl)c2Cl)c(OC)cc1Br
InChIInChI=1S/C15H13BrCl2O3/c1-20-12-7-10(16)13(21-2)6-9(12)15(19)8-4-3-5-11(17)14(8)18/h3-7,15,19H,1-2H3
InChIKeyNUVBWUKYJXXAMS-UHFFFAOYSA-N
XLogP4.85
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.08
LogP ≤ 54.85
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
(2,3-dichlorophenyl)-(2,5-dimethoxyphenyl)methanol
CID 61099199
(4-bromo-2,5-dimethoxyphenyl)-(3-bromo-2-methylphenyl)methanol
CID 105056944
(5-bromo-2-chlorophenyl)-(4-bromo-2,5-dimethoxyphenyl)methanol
CID 105057050
(4-bromo-2,5-dimethoxyphenyl)-(2-bromo-3-methylphenyl)methanol
CID 107983413
(2-bromo-4-chlorophenyl)-(4-bromo-2,5-dimethoxyphenyl)methanol
CID 107991354
(2-chlorophenyl)-(2,4,5-trimethoxyphenyl)methanol
CID 63895830
1-bromo-4-[bromo-(3-bromo-2-chlorophenyl)methyl]-2,5-dimethoxybenzene
CID 105057418
(4-bromo-2,5-dimethoxyphenyl)-(3-methoxyphenyl)methanol
CID 105057045
(4-bromo-2,5-dimethoxyphenyl)-(3-chloro-4-fluorophenyl)methanol
CID 105057040
(4-bromo-2,5-dimethoxyphenyl)-(3-iodophenyl)methanol
CID 105057022
(3-bromo-5-chlorophenyl)-(4-bromo-2,5-dimethoxyphenyl)methanol
CID 107955776

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,5-dimethoxyphenyl)-(2,3-dichlorophenyl)methanol?
The IUPAC name of (4-bromo-2,5-dimethoxyphenyl)-(2,3-dichlorophenyl)methanol (CID 105057027) is (4-bromo-2,5-dimethoxyphenyl)-(2,3-dichlorophenyl)methanol.
What is the SMILES notation for (4-bromo-2,5-dimethoxyphenyl)-(2,3-dichlorophenyl)methanol?
The canonical SMILES for (4-bromo-2,5-dimethoxyphenyl)-(2,3-dichlorophenyl)methanol is COc1cc(C(O)c2cccc(Cl)c2Cl)c(OC)cc1Br.
What is the InChIKey of (4-bromo-2,5-dimethoxyphenyl)-(2,3-dichlorophenyl)methanol?
The InChIKey is NUVBWUKYJXXAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl2O3/c1-20-12-7-10(16)13(21-2)6-9(12)15(19)8-4-3-5-11(17)14(8)18/h3-7,15,19H,1-2H3.
What are the key properties of (4-bromo-2,5-dimethoxyphenyl)-(2,3-dichlorophenyl)methanol?
(4-bromo-2,5-dimethoxyphenyl)-(2,3-dichlorophenyl)methanol has a molecular weight of 392.08 g/mol, XLogP of 4.85, 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)-(2,3-dichlorophenyl)methanol is sourced from PubChem (CID 105057027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).