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

C15H13Br2FO3 — CID 61088517

IUPAC(2-bromo-4,5-dimethoxyphenyl)-(3-bromo-5-fluorophenyl)methanol
SMILESCOc1cc(Br)c(C(O)c2cc(F)cc(Br)c2)cc1OC
InChIInChI=1S/C15H13Br2FO3/c1-20-13-6-11(12(17)7-14(13)21-2)15(19)8-3-9(16)5-10(18)4-8/h3-7,15,19H,1-2H3
InChIKeyDBADWPLDBWIFMM-UHFFFAOYSA-N
MW420.07 g/mol
LogP4.45
Rot. Bonds4

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

(2-bromo-4,5-dimethoxyphenyl)-(3-bromo-5-fluorophenyl)methanol (PubChem CID 61088517) has the molecular formula C15H13Br2FO3 and a molecular weight of 420.07 g/mol. Its IUPAC name is (2-bromo-4,5-dimethoxyphenyl)-(3-bromo-5-fluorophenyl)methanol.

Molecular Properties

Compound Name(2-bromo-4,5-dimethoxyphenyl)-(3-bromo-5-fluorophenyl)methanol
PubChem CID61088517
Molecular FormulaC15H13Br2FO3
Molecular Weight420.07 g/mol
Exact Mass417.92
IUPAC Name(2-bromo-4,5-dimethoxyphenyl)-(3-bromo-5-fluorophenyl)methanol
SMILESCOc1cc(Br)c(C(O)c2cc(F)cc(Br)c2)cc1OC
InChIInChI=1S/C15H13Br2FO3/c1-20-13-6-11(12(17)7-14(13)21-2)15(19)8-3-9(16)5-10(18)4-8/h3-7,15,19H,1-2H3
InChIKeyDBADWPLDBWIFMM-UHFFFAOYSA-N
XLogP4.45
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.07
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-5-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanol
CID 61081002
1-bromo-2-[(3-bromo-5-fluorophenyl)-chloromethyl]-4,5-dimethoxybenzene
CID 63432255
(2-bromo-4,5-dimethoxyphenyl)-(3,5-dimethylphenyl)methanol
CID 61088323
1-[bromo-(3-bromo-5-fluorophenyl)methyl]-4,5-dimethoxy-2-methylbenzene
CID 63443346
(3-bromo-5-chlorophenyl)-(4-bromo-2,5-dimethoxyphenyl)methanol
CID 107955776
(3-bromo-5-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanol
CID 115484421
(4-bromo-2-methoxyphenyl)-(3-fluoro-5-methylphenyl)methanol
CID 115823095
(2-bromo-5-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanol
CID 62867633
(2-bromo-4,5-dimethoxyphenyl)-(3,4-dichlorophenyl)methanol
CID 61087950
1-(2-bromo-4,5-dimethoxyphenyl)ethanol
CID 12605921
(5-bromo-2-methoxy-4-methylphenyl)-(3,5-dibromophenyl)methanol
CID 107980758
(2-bromo-4,5-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanol
CID 81479752

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4,5-dimethoxyphenyl)-(3-bromo-5-fluorophenyl)methanol?
The IUPAC name of (2-bromo-4,5-dimethoxyphenyl)-(3-bromo-5-fluorophenyl)methanol (CID 61088517) is (2-bromo-4,5-dimethoxyphenyl)-(3-bromo-5-fluorophenyl)methanol.
What is the SMILES notation for (2-bromo-4,5-dimethoxyphenyl)-(3-bromo-5-fluorophenyl)methanol?
The canonical SMILES for (2-bromo-4,5-dimethoxyphenyl)-(3-bromo-5-fluorophenyl)methanol is COc1cc(Br)c(C(O)c2cc(F)cc(Br)c2)cc1OC.
What is the InChIKey of (2-bromo-4,5-dimethoxyphenyl)-(3-bromo-5-fluorophenyl)methanol?
The InChIKey is DBADWPLDBWIFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2FO3/c1-20-13-6-11(12(17)7-14(13)21-2)15(19)8-3-9(16)5-10(18)4-8/h3-7,15,19H,1-2H3.
What are the key properties of (2-bromo-4,5-dimethoxyphenyl)-(3-bromo-5-fluorophenyl)methanol?
(2-bromo-4,5-dimethoxyphenyl)-(3-bromo-5-fluorophenyl)methanol has a molecular weight of 420.07 g/mol, XLogP of 4.45, 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-bromo-5-fluorophenyl)methanol is sourced from PubChem (CID 61088517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).