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

C15H13BrClFO — CID 115484503

IUPAC(2-bromo-5-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanol
SMILESCc1cc(Cl)c(C(O)c2cc(F)ccc2Br)cc1C
InChIInChI=1S/C15H13BrClFO/c1-8-5-12(14(17)6-9(8)2)15(19)11-7-10(18)3-4-13(11)16/h3-7,15,19H,1-2H3
InChIKeyXMSIGSLSXZWLTJ-UHFFFAOYSA-N
MW343.62 g/mol
LogP4.94
Rot. Bonds2

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

(2-bromo-5-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanol (PubChem CID 115484503) has the molecular formula C15H13BrClFO and a molecular weight of 343.62 g/mol. Its IUPAC name is (2-bromo-5-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanol.

Molecular Properties

Compound Name(2-bromo-5-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanol
PubChem CID115484503
Molecular FormulaC15H13BrClFO
Molecular Weight343.62 g/mol
Exact Mass341.98
IUPAC Name(2-bromo-5-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanol
SMILESCc1cc(Cl)c(C(O)c2cc(F)ccc2Br)cc1C
InChIInChI=1S/C15H13BrClFO/c1-8-5-12(14(17)6-9(8)2)15(19)11-7-10(18)3-4-13(11)16/h3-7,15,19H,1-2H3
InChIKeyXMSIGSLSXZWLTJ-UHFFFAOYSA-N
XLogP4.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.62
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-bromo-5-fluorophenyl)-(4-fluoro-2-methylphenyl)methanol
CID 115794207
(2-bromo-4-fluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanol
CID 81045240
(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-fluorophenyl)methanol
CID 106765137
(3-bromo-5-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanol
CID 115484421
(3-bromo-4-methylphenyl)-(2-chloro-5-fluorophenyl)methanol
CID 105397627
(3-bromo-4-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanol
CID 107955735
(2-bromo-5-fluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanamine
CID 81045501
(2-bromo-5-methylphenyl)-(5-fluoro-2-methoxyphenyl)methanol
CID 81111399
(2-bromo-4-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanol
CID 61082589
(2-chloro-4,5-dimethylphenyl)-(2,3-difluorophenyl)methanol
CID 115484592
(2-bromo-5-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanol
CID 62867633
(3-bromo-2-chlorophenyl)-(2-chloro-5-fluorophenyl)methanol
CID 105397701

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanol?
The IUPAC name of (2-bromo-5-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanol (CID 115484503) is (2-bromo-5-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanol.
What is the SMILES notation for (2-bromo-5-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanol?
The canonical SMILES for (2-bromo-5-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanol is Cc1cc(Cl)c(C(O)c2cc(F)ccc2Br)cc1C.
What is the InChIKey of (2-bromo-5-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanol?
The InChIKey is XMSIGSLSXZWLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClFO/c1-8-5-12(14(17)6-9(8)2)15(19)11-7-10(18)3-4-13(11)16/h3-7,15,19H,1-2H3.
What are the key properties of (2-bromo-5-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanol?
(2-bromo-5-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanol has a molecular weight of 343.62 g/mol, XLogP of 4.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanol is sourced from PubChem (CID 115484503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).