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

C15H13BrClFO — CID 115484421

IUPAC(3-bromo-5-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanol
SMILESCc1cc(Cl)c(C(O)c2cc(F)cc(Br)c2)cc1C
InChIInChI=1S/C15H13BrClFO/c1-8-3-13(14(17)4-9(8)2)15(19)10-5-11(16)7-12(18)6-10/h3-7,15,19H,1-2H3
InChIKeyVOWVVZDFMBMDES-UHFFFAOYSA-N
MW343.62 g/mol
LogP4.94
Rot. Bonds2

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

(3-bromo-5-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanol (PubChem CID 115484421) has the molecular formula C15H13BrClFO and a molecular weight of 343.62 g/mol. Its IUPAC name is (3-bromo-5-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanol.

Molecular Properties

Compound Name(3-bromo-5-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanol
PubChem CID115484421
Molecular FormulaC15H13BrClFO
Molecular Weight343.62 g/mol
Exact Mass341.98
IUPAC Name(3-bromo-5-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanol
SMILESCc1cc(Cl)c(C(O)c2cc(F)cc(Br)c2)cc1C
InChIInChI=1S/C15H13BrClFO/c1-8-3-13(14(17)4-9(8)2)15(19)10-5-11(16)7-12(18)6-10/h3-7,15,19H,1-2H3
InChIKeyVOWVVZDFMBMDES-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

(3-bromo-5-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanol
CID 61081002
(2-chloro-4,5-dimethylphenyl)-(3,4,5-trifluorophenyl)methanol
CID 115484480
(3-bromo-5-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanol
CID 61080476
(2-bromo-5-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanol
CID 115484503
(3-bromo-4-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanol
CID 107955735
(3,5-difluorophenyl)-(2,4,5-trimethylphenyl)methanol
CID 64990191
(2-chloro-4,5-dimethylphenyl)-(4-fluoro-3-methylphenyl)methanol
CID 115484419
(2-bromo-4,5-dimethoxyphenyl)-(3-bromo-5-fluorophenyl)methanol
CID 61088517
(3-bromo-5-fluorophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 66424633
(3-bromo-5-methylphenyl)-(3,5-difluorophenyl)methanol
CID 115793225
(2-chloro-5-fluorophenyl)-(3-fluoro-5-methylphenyl)methanol
CID 105394565
(3-bromo-5-fluorophenyl)-(2,5-difluorophenyl)methanol
CID 61101647

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanol?
The IUPAC name of (3-bromo-5-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanol (CID 115484421) is (3-bromo-5-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanol.
What is the SMILES notation for (3-bromo-5-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanol?
The canonical SMILES for (3-bromo-5-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanol is Cc1cc(Cl)c(C(O)c2cc(F)cc(Br)c2)cc1C.
What is the InChIKey of (3-bromo-5-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanol?
The InChIKey is VOWVVZDFMBMDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClFO/c1-8-3-13(14(17)4-9(8)2)15(19)10-5-11(16)7-12(18)6-10/h3-7,15,19H,1-2H3.
What are the key properties of (3-bromo-5-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanol?
(3-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 (3-bromo-5-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanol is sourced from PubChem (CID 115484421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).