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

C15H13BrClFO3 — CID 105057040

IUPAC(4-bromo-2,5-dimethoxyphenyl)-(3-chloro-4-fluorophenyl)methanol
SMILESCOc1cc(C(O)c2ccc(F)c(Cl)c2)c(OC)cc1Br
InChIInChI=1S/C15H13BrClFO3/c1-20-13-7-10(16)14(21-2)6-9(13)15(19)8-3-4-12(18)11(17)5-8/h3-7,15,19H,1-2H3
InChIKeyLBZPPIPQUNNWMD-UHFFFAOYSA-N
MW375.62 g/mol
LogP4.34
Rot. Bonds4

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

(4-bromo-2,5-dimethoxyphenyl)-(3-chloro-4-fluorophenyl)methanol (PubChem CID 105057040) has the molecular formula C15H13BrClFO3 and a molecular weight of 375.62 g/mol. Its IUPAC name is (4-bromo-2,5-dimethoxyphenyl)-(3-chloro-4-fluorophenyl)methanol.

Molecular Properties

Compound Name(4-bromo-2,5-dimethoxyphenyl)-(3-chloro-4-fluorophenyl)methanol
PubChem CID105057040
Molecular FormulaC15H13BrClFO3
Molecular Weight375.62 g/mol
Exact Mass373.97
IUPAC Name(4-bromo-2,5-dimethoxyphenyl)-(3-chloro-4-fluorophenyl)methanol
SMILESCOc1cc(C(O)c2ccc(F)c(Cl)c2)c(OC)cc1Br
InChIInChI=1S/C15H13BrClFO3/c1-20-13-7-10(16)14(21-2)6-9(13)15(19)8-3-4-12(18)11(17)5-8/h3-7,15,19H,1-2H3
InChIKeyLBZPPIPQUNNWMD-UHFFFAOYSA-N
XLogP4.34
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.62
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chloro-4-fluorophenyl)-(2-methoxyphenyl)methanol
CID 63094000
(5-bromo-4-fluoro-2-methoxyphenyl)-(3-chloro-4-methylphenyl)methanol
CID 103395986
1-bromo-2-[chloro-(3-chloro-4-fluorophenyl)methyl]-4,5-dimethoxybenzene
CID 82876669
(2-bromo-4-chlorophenyl)-(4-bromo-2,5-dimethoxyphenyl)methanol
CID 107991354
(2-bromo-4,5-dimethoxyphenyl)-(3,4-dichlorophenyl)methanol
CID 61087950
(3-chloro-4-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanol
CID 63094497
(3-bromo-5-chlorophenyl)-(4-bromo-2,5-dimethoxyphenyl)methanol
CID 107955776
(4-chlorophenyl)-(2,4,5-trimethoxyphenyl)methanol
CID 61101584
(4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-4-methoxyphenyl)methanol
CID 105399539
(3-bromo-4-methoxyphenyl)-(2,4-dichlorophenyl)methanol
CID 61100992
(4-bromo-2,5-dimethoxyphenyl)-(3-chloro-5-methylphenyl)methanol
CID 105057119
1-bromo-4-[bromo-(4-chloro-3-fluorophenyl)methyl]-2,5-dimethoxybenzene
CID 107992249

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,5-dimethoxyphenyl)-(3-chloro-4-fluorophenyl)methanol?
The IUPAC name of (4-bromo-2,5-dimethoxyphenyl)-(3-chloro-4-fluorophenyl)methanol (CID 105057040) is (4-bromo-2,5-dimethoxyphenyl)-(3-chloro-4-fluorophenyl)methanol.
What is the SMILES notation for (4-bromo-2,5-dimethoxyphenyl)-(3-chloro-4-fluorophenyl)methanol?
The canonical SMILES for (4-bromo-2,5-dimethoxyphenyl)-(3-chloro-4-fluorophenyl)methanol is COc1cc(C(O)c2ccc(F)c(Cl)c2)c(OC)cc1Br.
What is the InChIKey of (4-bromo-2,5-dimethoxyphenyl)-(3-chloro-4-fluorophenyl)methanol?
The InChIKey is LBZPPIPQUNNWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClFO3/c1-20-13-7-10(16)14(21-2)6-9(13)15(19)8-3-4-12(18)11(17)5-8/h3-7,15,19H,1-2H3.
What are the key properties of (4-bromo-2,5-dimethoxyphenyl)-(3-chloro-4-fluorophenyl)methanol?
(4-bromo-2,5-dimethoxyphenyl)-(3-chloro-4-fluorophenyl)methanol has a molecular weight of 375.62 g/mol, XLogP of 4.34, 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-4-fluorophenyl)methanol is sourced from PubChem (CID 105057040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).