(4-bromo-2-fluoro-3-methoxyphenyl)-(3-chlorophenyl)methanol

C14H11BrClFO2 — CID 171367472

IUPAC(4-bromo-2-fluoro-3-methoxyphenyl)-(3-chlorophenyl)methanol
SMILESCOc1c(Br)ccc(C(O)c2cccc(Cl)c2)c1F
InChIInChI=1S/C14H11BrClFO2/c1-19-14-11(15)6-5-10(12(14)17)13(18)8-3-2-4-9(16)7-8/h2-7,13,18H,1H3
InChIKeyVCLBHBAWYLEHQR-UHFFFAOYSA-N
MW345.60 g/mol
LogP4.33
Rot. Bonds3

About (4-bromo-2-fluoro-3-methoxyphenyl)-(3-chlorophenyl)methanol

(4-bromo-2-fluoro-3-methoxyphenyl)-(3-chlorophenyl)methanol (PubChem CID 171367472) has the molecular formula C14H11BrClFO2 and a molecular weight of 345.60 g/mol. Its IUPAC name is (4-bromo-2-fluoro-3-methoxyphenyl)-(3-chlorophenyl)methanol.

Molecular Properties

Compound Name(4-bromo-2-fluoro-3-methoxyphenyl)-(3-chlorophenyl)methanol
PubChem CID171367472
Molecular FormulaC14H11BrClFO2
Molecular Weight345.60 g/mol
Exact Mass343.96
IUPAC Name(4-bromo-2-fluoro-3-methoxyphenyl)-(3-chlorophenyl)methanol
SMILESCOc1c(Br)ccc(C(O)c2cccc(Cl)c2)c1F
InChIInChI=1S/C14H11BrClFO2/c1-19-14-11(15)6-5-10(12(14)17)13(18)8-3-2-4-9(16)7-8/h2-7,13,18H,1H3
InChIKeyVCLBHBAWYLEHQR-UHFFFAOYSA-N
XLogP4.33
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.60
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-bromo-5-(trifluoromethyl)phenyl]-(3-chlorophenyl)methanol
CID 114982412
(3-chlorophenyl)-(3,5-difluorophenyl)methanol
CID 2757448
(4-bromo-3-methylphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82806466
(3-chloro-2-fluorophenyl)-(4-methoxy-3,5-dimethylphenyl)methanol
CID 83068636
[4-bromo-2-(trifluoromethyl)phenyl]-(3-chlorophenyl)methanol
CID 62691371
(S)-(3-chloro-5-fluorophenyl)-(3-chlorophenyl)methanol
CID 7153369
(4-bromo-5-chloro-2-fluorophenyl)-(3-fluorophenyl)methanol
CID 105399342
(3-bromo-4-methoxyphenyl)-(2,3-difluorophenyl)methanol
CID 62660225
(3-bromo-5-chloro-2-methoxyphenyl)-(4-chlorophenyl)methanol
CID 61099475
1-bromo-4-[chloro-(3-chlorophenyl)methyl]naphthalene
CID 79597875
(2-chloro-3-fluorophenyl)-(3-methoxyphenyl)methanol
CID 114976824
(3-bromo-2-chlorophenyl)-(3-methoxyphenyl)methanol
CID 114976791

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-fluoro-3-methoxyphenyl)-(3-chlorophenyl)methanol?
The IUPAC name of (4-bromo-2-fluoro-3-methoxyphenyl)-(3-chlorophenyl)methanol (CID 171367472) is (4-bromo-2-fluoro-3-methoxyphenyl)-(3-chlorophenyl)methanol.
What is the SMILES notation for (4-bromo-2-fluoro-3-methoxyphenyl)-(3-chlorophenyl)methanol?
The canonical SMILES for (4-bromo-2-fluoro-3-methoxyphenyl)-(3-chlorophenyl)methanol is COc1c(Br)ccc(C(O)c2cccc(Cl)c2)c1F.
What is the InChIKey of (4-bromo-2-fluoro-3-methoxyphenyl)-(3-chlorophenyl)methanol?
The InChIKey is VCLBHBAWYLEHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClFO2/c1-19-14-11(15)6-5-10(12(14)17)13(18)8-3-2-4-9(16)7-8/h2-7,13,18H,1H3.
What are the key properties of (4-bromo-2-fluoro-3-methoxyphenyl)-(3-chlorophenyl)methanol?
(4-bromo-2-fluoro-3-methoxyphenyl)-(3-chlorophenyl)methanol has a molecular weight of 345.60 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-fluoro-3-methoxyphenyl)-(3-chlorophenyl)methanol is sourced from PubChem (CID 171367472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).