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

C15H13BrClFO3 — CID 61082589

IUPAC(2-bromo-4-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanol
SMILESCOc1cc(Cl)c(C(O)c2ccc(F)cc2Br)cc1OC
InChIInChI=1S/C15H13BrClFO3/c1-20-13-6-10(12(17)7-14(13)21-2)15(19)9-4-3-8(18)5-11(9)16/h3-7,15,19H,1-2H3
InChIKeyWWGMYTUGPXDJGV-UHFFFAOYSA-N
MW375.62 g/mol
LogP4.34
Rot. Bonds4

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

(2-bromo-4-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanol (PubChem CID 61082589) has the molecular formula C15H13BrClFO3 and a molecular weight of 375.62 g/mol. Its IUPAC name is (2-bromo-4-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanol.

Molecular Properties

Compound Name(2-bromo-4-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanol
PubChem CID61082589
Molecular FormulaC15H13BrClFO3
Molecular Weight375.62 g/mol
Exact Mass373.97
IUPAC Name(2-bromo-4-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanol
SMILESCOc1cc(Cl)c(C(O)c2ccc(F)cc2Br)cc1OC
InChIInChI=1S/C15H13BrClFO3/c1-20-13-6-10(12(17)7-14(13)21-2)15(19)9-4-3-8(18)5-11(9)16/h3-7,15,19H,1-2H3
InChIKeyWWGMYTUGPXDJGV-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

1-[(2-bromo-4-fluorophenyl)-chloromethyl]-2-chloro-4,5-dimethoxybenzene
CID 63433300
(2-bromo-4-fluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanol
CID 81045240
(2-bromo-4-fluorophenyl)-(2,6-dimethoxyphenyl)methanol
CID 115838561
(2-bromo-4,5-dimethoxyphenyl)-(2-chloro-4-fluorophenyl)methanamine
CID 43118226
(2-chloro-4,5-dimethoxyphenyl)-(2,5-dibromophenyl)methanol
CID 114374763
(4-bromo-2-chlorophenyl)-(2-bromo-4,5-dimethoxyphenyl)methanol
CID 61086660
(2-bromo-4-fluorophenyl)-(3-bromo-4-methoxyphenyl)methanol
CID 61101513
(3-bromo-5-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanol
CID 61081002
(2-bromo-5-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanol
CID 62867633
(2-bromo-4,5-dimethoxyphenyl)-(2-bromo-4-fluorophenyl)methanamine
CID 43118265
(2-chloro-4-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82807676
(2-bromo-4-fluorophenyl)-(2,3-dichlorophenyl)methanol
CID 115793021

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanol?
The IUPAC name of (2-bromo-4-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanol (CID 61082589) is (2-bromo-4-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanol.
What is the SMILES notation for (2-bromo-4-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanol?
The canonical SMILES for (2-bromo-4-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanol is COc1cc(Cl)c(C(O)c2ccc(F)cc2Br)cc1OC.
What is the InChIKey of (2-bromo-4-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanol?
The InChIKey is WWGMYTUGPXDJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClFO3/c1-20-13-6-10(12(17)7-14(13)21-2)15(19)9-4-3-8(18)5-11(9)16/h3-7,15,19H,1-2H3.
What are the key properties of (2-bromo-4-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanol?
(2-bromo-4-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)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 (2-bromo-4-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanol is sourced from PubChem (CID 61082589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).