(3-bromo-5-fluorophenyl)-(4-fluoro-3-methylphenyl)methanol

C14H11BrF2O — CID 66424633

IUPAC(3-bromo-5-fluorophenyl)-(4-fluoro-3-methylphenyl)methanol
SMILESCc1cc(C(O)c2cc(F)cc(Br)c2)ccc1F
InChIInChI=1S/C14H11BrF2O/c1-8-4-9(2-3-13(8)17)14(18)10-5-11(15)7-12(16)6-10/h2-7,14,18H,1H3
InChIKeyVNJQWIZNTLPMEQ-UHFFFAOYSA-N
MW313.14 g/mol
LogP4.12
Rot. Bonds2

About (3-bromo-5-fluorophenyl)-(4-fluoro-3-methylphenyl)methanol

(3-bromo-5-fluorophenyl)-(4-fluoro-3-methylphenyl)methanol (PubChem CID 66424633) has the molecular formula C14H11BrF2O and a molecular weight of 313.14 g/mol. Its IUPAC name is (3-bromo-5-fluorophenyl)-(4-fluoro-3-methylphenyl)methanol.

Molecular Properties

Compound Name(3-bromo-5-fluorophenyl)-(4-fluoro-3-methylphenyl)methanol
PubChem CID66424633
Molecular FormulaC14H11BrF2O
Molecular Weight313.14 g/mol
Exact Mass312.00
IUPAC Name(3-bromo-5-fluorophenyl)-(4-fluoro-3-methylphenyl)methanol
SMILESCc1cc(C(O)c2cc(F)cc(Br)c2)ccc1F
InChIInChI=1S/C14H11BrF2O/c1-8-4-9(2-3-13(8)17)14(18)10-5-11(15)7-12(16)6-10/h2-7,14,18H,1H3
InChIKeyVNJQWIZNTLPMEQ-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

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Related Compounds

(3,5-dibromophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 107978317
(4-fluoro-3-methylphenyl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanol
CID 115351040
(3,5-dichlorophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 63899311
(3-bromo-5-methylphenyl)-(3,5-difluorophenyl)methanol
CID 115793225
(S)-(3-bromophenyl)-(3,5-difluorophenyl)methanol
CID 94601821
(3-bromo-5-fluorophenyl)-(2,5-difluorophenyl)methanol
CID 61101647
(2,5-difluorophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 62802735
(5-bromo-2-fluorophenyl)-(4-bromo-3-methylphenyl)methanol
CID 81447497
(4-fluoro-3-methylphenyl)methanediol
CID 45090626
(3,5-dibromophenyl)-(3-fluorophenyl)methanol
CID 107978141
(4-bromo-3,5-dimethylphenyl)-(3-fluoro-5-methylphenyl)methanol
CID 114329914
(3-bromo-5-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanol
CID 115484421

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-fluorophenyl)-(4-fluoro-3-methylphenyl)methanol?
The IUPAC name of (3-bromo-5-fluorophenyl)-(4-fluoro-3-methylphenyl)methanol (CID 66424633) is (3-bromo-5-fluorophenyl)-(4-fluoro-3-methylphenyl)methanol.
What is the SMILES notation for (3-bromo-5-fluorophenyl)-(4-fluoro-3-methylphenyl)methanol?
The canonical SMILES for (3-bromo-5-fluorophenyl)-(4-fluoro-3-methylphenyl)methanol is Cc1cc(C(O)c2cc(F)cc(Br)c2)ccc1F.
What is the InChIKey of (3-bromo-5-fluorophenyl)-(4-fluoro-3-methylphenyl)methanol?
The InChIKey is VNJQWIZNTLPMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF2O/c1-8-4-9(2-3-13(8)17)14(18)10-5-11(15)7-12(16)6-10/h2-7,14,18H,1H3.
What are the key properties of (3-bromo-5-fluorophenyl)-(4-fluoro-3-methylphenyl)methanol?
(3-bromo-5-fluorophenyl)-(4-fluoro-3-methylphenyl)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-fluorophenyl)-(4-fluoro-3-methylphenyl)methanol is sourced from PubChem (CID 66424633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).