(3-bromo-4-fluorophenyl)-(3,5-dichlorophenyl)methanol

C13H8BrCl2FO — CID 79747618

IUPAC(3-bromo-4-fluorophenyl)-(3,5-dichlorophenyl)methanol
SMILESOC(c1cc(Cl)cc(Cl)c1)c1ccc(F)c(Br)c1
InChIInChI=1S/C13H8BrCl2FO/c14-11-5-7(1-2-12(11)17)13(18)8-3-9(15)6-10(16)4-8/h1-6,13,18H
InChIKeySHBAEXMTBKSIKU-UHFFFAOYSA-N
MW350.01 g/mol
LogP4.98
Rot. Bonds2

About (3-bromo-4-fluorophenyl)-(3,5-dichlorophenyl)methanol

(3-bromo-4-fluorophenyl)-(3,5-dichlorophenyl)methanol (PubChem CID 79747618) has the molecular formula C13H8BrCl2FO and a molecular weight of 350.01 g/mol. Its IUPAC name is (3-bromo-4-fluorophenyl)-(3,5-dichlorophenyl)methanol.

Molecular Properties

Compound Name(3-bromo-4-fluorophenyl)-(3,5-dichlorophenyl)methanol
PubChem CID79747618
Molecular FormulaC13H8BrCl2FO
Molecular Weight350.01 g/mol
Exact Mass347.91
IUPAC Name(3-bromo-4-fluorophenyl)-(3,5-dichlorophenyl)methanol
SMILESOC(c1cc(Cl)cc(Cl)c1)c1ccc(F)c(Br)c1
InChIInChI=1S/C13H8BrCl2FO/c14-11-5-7(1-2-12(11)17)13(18)8-3-9(15)6-10(16)4-8/h1-6,13,18H
InChIKeySHBAEXMTBKSIKU-UHFFFAOYSA-N
XLogP4.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.01
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-4-fluorophenyl)-(3-chloro-4-fluorophenyl)methanol
CID 82879548
(3-bromo-4-fluorophenyl)-(4-bromophenyl)methanol
CID 79746542
(3,5-dichlorophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 63899311
(3-bromo-4-fluorophenyl)-(3,5-dichlorophenyl)methanamine
CID 79747674
(S)-(4-chlorophenyl)-(3,5-dichlorophenyl)methanol
CID 26595568
(R)-(4-chlorophenyl)-(3,5-dichlorophenyl)methanol
CID 26595571
(3-bromo-4-fluorophenyl)-(4-chloro-3-methoxyphenyl)methanol
CID 79697409
(3-bromo-4-fluorophenyl)-(4-fluoro-3-methoxyphenyl)methanol
CID 81284804
(3-bromo-4-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanol
CID 107955735
1-(3-bromo-4-fluorophenyl)ethane-1,2-diol
CID 70906663
(3-bromo-4-fluorophenyl)-(2-bromophenyl)methanol
CID 79746626
(3-bromo-4-fluorophenyl)-(2,5-difluoro-4-methylphenyl)methanol
CID 107955698

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-fluorophenyl)-(3,5-dichlorophenyl)methanol?
The IUPAC name of (3-bromo-4-fluorophenyl)-(3,5-dichlorophenyl)methanol (CID 79747618) is (3-bromo-4-fluorophenyl)-(3,5-dichlorophenyl)methanol.
What is the SMILES notation for (3-bromo-4-fluorophenyl)-(3,5-dichlorophenyl)methanol?
The canonical SMILES for (3-bromo-4-fluorophenyl)-(3,5-dichlorophenyl)methanol is OC(c1cc(Cl)cc(Cl)c1)c1ccc(F)c(Br)c1.
What is the InChIKey of (3-bromo-4-fluorophenyl)-(3,5-dichlorophenyl)methanol?
The InChIKey is SHBAEXMTBKSIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrCl2FO/c14-11-5-7(1-2-12(11)17)13(18)8-3-9(15)6-10(16)4-8/h1-6,13,18H.
What are the key properties of (3-bromo-4-fluorophenyl)-(3,5-dichlorophenyl)methanol?
(3-bromo-4-fluorophenyl)-(3,5-dichlorophenyl)methanol has a molecular weight of 350.01 g/mol, XLogP of 4.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-fluorophenyl)-(3,5-dichlorophenyl)methanol is sourced from PubChem (CID 79747618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).