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

C15H13BrCl2O3 — CID 61087950

IUPAC(2-bromo-4,5-dimethoxyphenyl)-(3,4-dichlorophenyl)methanol
SMILESCOc1cc(Br)c(C(O)c2ccc(Cl)c(Cl)c2)cc1OC
InChIInChI=1S/C15H13BrCl2O3/c1-20-13-6-9(10(16)7-14(13)21-2)15(19)8-3-4-11(17)12(18)5-8/h3-7,15,19H,1-2H3
InChIKeyIMECVNJMAMJBNG-UHFFFAOYSA-N
MW392.08 g/mol
LogP4.85
Rot. Bonds4

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

(2-bromo-4,5-dimethoxyphenyl)-(3,4-dichlorophenyl)methanol (PubChem CID 61087950) has the molecular formula C15H13BrCl2O3 and a molecular weight of 392.08 g/mol. Its IUPAC name is (2-bromo-4,5-dimethoxyphenyl)-(3,4-dichlorophenyl)methanol.

Molecular Properties

Compound Name(2-bromo-4,5-dimethoxyphenyl)-(3,4-dichlorophenyl)methanol
PubChem CID61087950
Molecular FormulaC15H13BrCl2O3
Molecular Weight392.08 g/mol
Exact Mass389.94
IUPAC Name(2-bromo-4,5-dimethoxyphenyl)-(3,4-dichlorophenyl)methanol
SMILESCOc1cc(Br)c(C(O)c2ccc(Cl)c(Cl)c2)cc1OC
InChIInChI=1S/C15H13BrCl2O3/c1-20-13-6-9(10(16)7-14(13)21-2)15(19)8-3-4-11(17)12(18)5-8/h3-7,15,19H,1-2H3
InChIKeyIMECVNJMAMJBNG-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-3-chlorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
CID 81293426
(4-bromo-2,5-dimethoxyphenyl)-(3-chloro-4-fluorophenyl)methanol
CID 105057040
(4-bromo-2-chlorophenyl)-(2-bromo-4,5-dimethoxyphenyl)methanol
CID 61086660
(2-bromo-4,5-dimethoxyphenyl)-(3,5-dimethylphenyl)methanol
CID 61088323
(2,5-dibromophenyl)-(3,4-dichlorophenyl)methanol
CID 63426086
1-bromo-2-[(3-bromo-4-chlorophenyl)-chloromethyl]-4,5-dimethoxybenzene
CID 107991491
(5-bromo-2-chlorophenyl)-(3-bromo-4-methoxyphenyl)methanol
CID 61100484
(3,4-dichlorophenyl)-(3-methoxy-4-methylphenyl)methanol
CID 61081399
(3-bromo-4-chlorophenyl)-(2-bromo-4,5-dimethoxyphenyl)methanamine
CID 107998531
(3-bromo-4-chlorophenyl)-(2,4-dimethoxyphenyl)methanol
CID 115566318
(3,4-dichlorophenyl)-(4-fluoro-3-methoxyphenyl)methanol
CID 81284055
4-[(3,4-dichlorophenyl)-hydroxymethyl]-3-methoxybenzonitrile
CID 58046334

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4,5-dimethoxyphenyl)-(3,4-dichlorophenyl)methanol?
The IUPAC name of (2-bromo-4,5-dimethoxyphenyl)-(3,4-dichlorophenyl)methanol (CID 61087950) is (2-bromo-4,5-dimethoxyphenyl)-(3,4-dichlorophenyl)methanol.
What is the SMILES notation for (2-bromo-4,5-dimethoxyphenyl)-(3,4-dichlorophenyl)methanol?
The canonical SMILES for (2-bromo-4,5-dimethoxyphenyl)-(3,4-dichlorophenyl)methanol is COc1cc(Br)c(C(O)c2ccc(Cl)c(Cl)c2)cc1OC.
What is the InChIKey of (2-bromo-4,5-dimethoxyphenyl)-(3,4-dichlorophenyl)methanol?
The InChIKey is IMECVNJMAMJBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl2O3/c1-20-13-6-9(10(16)7-14(13)21-2)15(19)8-3-4-11(17)12(18)5-8/h3-7,15,19H,1-2H3.
What are the key properties of (2-bromo-4,5-dimethoxyphenyl)-(3,4-dichlorophenyl)methanol?
(2-bromo-4,5-dimethoxyphenyl)-(3,4-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 (2-bromo-4,5-dimethoxyphenyl)-(3,4-dichlorophenyl)methanol is sourced from PubChem (CID 61087950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).