(3-bromo-5-methylphenyl)-(3,5-difluorophenyl)methanol

C14H11BrF2O — CID 115793225

IUPAC(3-bromo-5-methylphenyl)-(3,5-difluorophenyl)methanol
SMILESCc1cc(Br)cc(C(O)c2cc(F)cc(F)c2)c1
InChIInChI=1S/C14H11BrF2O/c1-8-2-9(4-11(15)3-8)14(18)10-5-12(16)7-13(17)6-10/h2-7,14,18H,1H3
InChIKeyUCAOBJLXMINFAG-UHFFFAOYSA-N
MW313.14 g/mol
LogP4.12
Rot. Bonds2

About (3-bromo-5-methylphenyl)-(3,5-difluorophenyl)methanol

(3-bromo-5-methylphenyl)-(3,5-difluorophenyl)methanol (PubChem CID 115793225) has the molecular formula C14H11BrF2O and a molecular weight of 313.14 g/mol. Its IUPAC name is (3-bromo-5-methylphenyl)-(3,5-difluorophenyl)methanol.

Molecular Properties

Compound Name(3-bromo-5-methylphenyl)-(3,5-difluorophenyl)methanol
PubChem CID115793225
Molecular FormulaC14H11BrF2O
Molecular Weight313.14 g/mol
Exact Mass312.00
IUPAC Name(3-bromo-5-methylphenyl)-(3,5-difluorophenyl)methanol
SMILESCc1cc(Br)cc(C(O)c2cc(F)cc(F)c2)c1
InChIInChI=1S/C14H11BrF2O/c1-8-2-9(4-11(15)3-8)14(18)10-5-12(16)7-13(17)6-10/h2-7,14,18H,1H3
InChIKeyUCAOBJLXMINFAG-UHFFFAOYSA-N
XLogP4.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.14
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (3-bromo-5-methylphenyl)-(3,5-difluorophenyl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-bromo-5-methylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanol
CID 106879416
(4-bromo-3,5-dimethylphenyl)-(3-fluoro-5-methylphenyl)methanol
CID 114329914
(3-bromo-2,6-difluorophenyl)-(3-bromo-5-methylphenyl)methanol
CID 106945118
(3-bromo-5-fluorophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 66424633
(4-bromo-3-chlorophenyl)-(3-fluoro-5-methylphenyl)methanol
CID 115823118
(S)-(3-bromophenyl)-(3,5-difluorophenyl)methanol
CID 94601821
1-(3-bromo-5-methylphenyl)ethanol
CID 84680750
(4-bromo-2,6-difluorophenyl)-(3,5-difluorophenyl)methanol
CID 115793233
(3-bromo-5-methylphenyl)-(4-methoxyphenyl)methanol
CID 113460969
(5-bromothiophen-2-yl)-(3-fluoro-5-methylphenyl)methanol
CID 79691471
(R)-(3,5-dimethylphenyl)-(4-fluorophenyl)methanol
CID 7154269
(4-bromo-2-methoxyphenyl)-(3-fluoro-5-methylphenyl)methanol
CID 115823095

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-methylphenyl)-(3,5-difluorophenyl)methanol?
The IUPAC name of (3-bromo-5-methylphenyl)-(3,5-difluorophenyl)methanol (CID 115793225) is (3-bromo-5-methylphenyl)-(3,5-difluorophenyl)methanol.
What is the SMILES notation for (3-bromo-5-methylphenyl)-(3,5-difluorophenyl)methanol?
The canonical SMILES for (3-bromo-5-methylphenyl)-(3,5-difluorophenyl)methanol is Cc1cc(Br)cc(C(O)c2cc(F)cc(F)c2)c1.
What is the InChIKey of (3-bromo-5-methylphenyl)-(3,5-difluorophenyl)methanol?
The InChIKey is UCAOBJLXMINFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF2O/c1-8-2-9(4-11(15)3-8)14(18)10-5-12(16)7-13(17)6-10/h2-7,14,18H,1H3.
What are the key properties of (3-bromo-5-methylphenyl)-(3,5-difluorophenyl)methanol?
(3-bromo-5-methylphenyl)-(3,5-difluorophenyl)methanol has a molecular weight of 313.14 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-methylphenyl)-(3,5-difluorophenyl)methanol is sourced from PubChem (CID 115793225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).