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

C15H13Br2FO — CID 107955646

IUPAC(4-bromo-2,5-dimethylphenyl)-(3-bromo-4-fluorophenyl)methanol
SMILESCc1cc(C(O)c2ccc(F)c(Br)c2)c(C)cc1Br
InChIInChI=1S/C15H13Br2FO/c1-8-6-12(16)9(2)5-11(8)15(19)10-3-4-14(18)13(17)7-10/h3-7,15,19H,1-2H3
InChIKeyJSLMVJYSBICBOA-UHFFFAOYSA-N
MW388.07 g/mol
LogP5.05
Rot. Bonds2

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

(4-bromo-2,5-dimethylphenyl)-(3-bromo-4-fluorophenyl)methanol (PubChem CID 107955646) has the molecular formula C15H13Br2FO and a molecular weight of 388.07 g/mol. Its IUPAC name is (4-bromo-2,5-dimethylphenyl)-(3-bromo-4-fluorophenyl)methanol.

Molecular Properties

Compound Name(4-bromo-2,5-dimethylphenyl)-(3-bromo-4-fluorophenyl)methanol
PubChem CID107955646
Molecular FormulaC15H13Br2FO
Molecular Weight388.07 g/mol
Exact Mass385.93
IUPAC Name(4-bromo-2,5-dimethylphenyl)-(3-bromo-4-fluorophenyl)methanol
SMILESCc1cc(C(O)c2ccc(F)c(Br)c2)c(C)cc1Br
InChIInChI=1S/C15H13Br2FO/c1-8-6-12(16)9(2)5-11(8)15(19)10-3-4-14(18)13(17)7-10/h3-7,15,19H,1-2H3
InChIKeyJSLMVJYSBICBOA-UHFFFAOYSA-N
XLogP5.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.07
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-4-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
CID 107955586
(3-bromo-4-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanol
CID 107955735
(3-bromo-4-fluorophenyl)-(2-bromo-3-methylphenyl)methanol
CID 114023972
(3-bromo-4-fluorophenyl)-(2,5-difluoro-4-methylphenyl)methanol
CID 107955698
(3-bromo-4-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 102751415
1-(4-bromo-2,5-dimethylphenyl)-1-(3-bromo-4-fluorophenyl)-N-methylmethanamine
CID 107950608
(3-bromo-4-fluorophenyl)-(2,5-dimethylfuran-3-yl)methanol
CID 79747617
(3-bromo-4-fluorophenyl)-(2-bromophenyl)methanol
CID 79746626
(3-bromo-4-methylphenyl)-(2,5-difluoro-4-methylphenyl)methanol
CID 81475821
(5-bromo-2-fluorophenyl)-(4-bromo-3-methylphenyl)methanol
CID 81447497
(3-bromo-4-methylphenyl)-(2,4-difluorophenyl)methanol
CID 81476067
(3-bromo-4-fluorophenyl)-(4-bromothiophen-3-yl)methanol
CID 79595160

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,5-dimethylphenyl)-(3-bromo-4-fluorophenyl)methanol?
The IUPAC name of (4-bromo-2,5-dimethylphenyl)-(3-bromo-4-fluorophenyl)methanol (CID 107955646) is (4-bromo-2,5-dimethylphenyl)-(3-bromo-4-fluorophenyl)methanol.
What is the SMILES notation for (4-bromo-2,5-dimethylphenyl)-(3-bromo-4-fluorophenyl)methanol?
The canonical SMILES for (4-bromo-2,5-dimethylphenyl)-(3-bromo-4-fluorophenyl)methanol is Cc1cc(C(O)c2ccc(F)c(Br)c2)c(C)cc1Br.
What is the InChIKey of (4-bromo-2,5-dimethylphenyl)-(3-bromo-4-fluorophenyl)methanol?
The InChIKey is JSLMVJYSBICBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2FO/c1-8-6-12(16)9(2)5-11(8)15(19)10-3-4-14(18)13(17)7-10/h3-7,15,19H,1-2H3.
What are the key properties of (4-bromo-2,5-dimethylphenyl)-(3-bromo-4-fluorophenyl)methanol?
(4-bromo-2,5-dimethylphenyl)-(3-bromo-4-fluorophenyl)methanol has a molecular weight of 388.07 g/mol, XLogP of 5.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2,5-dimethylphenyl)-(3-bromo-4-fluorophenyl)methanol is sourced from PubChem (CID 107955646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).