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

C15H13BrClFO — CID 107955735

IUPAC(3-bromo-4-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanol
SMILESCc1cc(Cl)c(C(O)c2ccc(F)c(Br)c2)cc1C
InChIInChI=1S/C15H13BrClFO/c1-8-5-11(13(17)6-9(8)2)15(19)10-3-4-14(18)12(16)7-10/h3-7,15,19H,1-2H3
InChIKeyGLVWDZCIVHILMW-UHFFFAOYSA-N
MW343.62 g/mol
LogP4.94
Rot. Bonds2

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

(3-bromo-4-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanol (PubChem CID 107955735) has the molecular formula C15H13BrClFO and a molecular weight of 343.62 g/mol. Its IUPAC name is (3-bromo-4-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanol.

Molecular Properties

Compound Name(3-bromo-4-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanol
PubChem CID107955735
Molecular FormulaC15H13BrClFO
Molecular Weight343.62 g/mol
Exact Mass341.98
IUPAC Name(3-bromo-4-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanol
SMILESCc1cc(Cl)c(C(O)c2ccc(F)c(Br)c2)cc1C
InChIInChI=1S/C15H13BrClFO/c1-8-5-11(13(17)6-9(8)2)15(19)10-3-4-14(18)12(16)7-10/h3-7,15,19H,1-2H3
InChIKeyGLVWDZCIVHILMW-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-chloro-4,5-dimethylphenyl)-(4-fluoro-3-methylphenyl)methanol
CID 115484419
(4-bromo-2,5-dimethylphenyl)-(3-bromo-4-fluorophenyl)methanol
CID 107955646
(3-bromo-4-fluorophenyl)-(2,5-difluoro-4-methylphenyl)methanol
CID 107955698
(3-bromo-4-fluorophenyl)-(3-chloro-4-fluorophenyl)methanol
CID 82879548
(3-bromo-4-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
CID 107955586
(3-bromo-4-methylphenyl)-(2-chloro-5-fluorophenyl)methanol
CID 105397627
1-[(3-bromo-4-fluorophenyl)-chloromethyl]-4-chloro-2,5-dimethylbenzene
CID 107958916
(3-bromo-4-fluorophenyl)-(2-bromo-3-methylphenyl)methanol
CID 114023972
(2-chloro-4,5-dimethylphenyl)-(3,4,5-trifluorophenyl)methanol
CID 115484480
(2-bromo-4,5-dimethylphenyl)-(4-chlorophenyl)methanol
CID 139494105
(4-bromo-5-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 105399490
(3-bromo-4-fluorophenyl)-(4-chloro-3-methoxyphenyl)methanol
CID 79697409

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanol?
The IUPAC name of (3-bromo-4-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanol (CID 107955735) is (3-bromo-4-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanol.
What is the SMILES notation for (3-bromo-4-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanol?
The canonical SMILES for (3-bromo-4-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanol is Cc1cc(Cl)c(C(O)c2ccc(F)c(Br)c2)cc1C.
What is the InChIKey of (3-bromo-4-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanol?
The InChIKey is GLVWDZCIVHILMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClFO/c1-8-5-11(13(17)6-9(8)2)15(19)10-3-4-14(18)12(16)7-10/h3-7,15,19H,1-2H3.
What are the key properties of (3-bromo-4-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanol?
(3-bromo-4-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-4-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanol is sourced from PubChem (CID 107955735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).