(3-bromo-2-fluorophenyl)-(2-fluoro-3-methylphenyl)methanol

C14H11BrF2O — CID 106648481

IUPAC(3-bromo-2-fluorophenyl)-(2-fluoro-3-methylphenyl)methanol
SMILESCc1cccc(C(O)c2cccc(Br)c2F)c1F
InChIInChI=1S/C14H11BrF2O/c1-8-4-2-5-9(12(8)16)14(18)10-6-3-7-11(15)13(10)17/h2-7,14,18H,1H3
InChIKeyPPTXMCLAOAJQIM-UHFFFAOYSA-N
MW313.14 g/mol
LogP4.12
Rot. Bonds2

About (3-bromo-2-fluorophenyl)-(2-fluoro-3-methylphenyl)methanol

(3-bromo-2-fluorophenyl)-(2-fluoro-3-methylphenyl)methanol (PubChem CID 106648481) has the molecular formula C14H11BrF2O and a molecular weight of 313.14 g/mol. Its IUPAC name is (3-bromo-2-fluorophenyl)-(2-fluoro-3-methylphenyl)methanol.

Molecular Properties

Compound Name(3-bromo-2-fluorophenyl)-(2-fluoro-3-methylphenyl)methanol
PubChem CID106648481
Molecular FormulaC14H11BrF2O
Molecular Weight313.14 g/mol
Exact Mass312.00
IUPAC Name(3-bromo-2-fluorophenyl)-(2-fluoro-3-methylphenyl)methanol
SMILESCc1cccc(C(O)c2cccc(Br)c2F)c1F
InChIInChI=1S/C14H11BrF2O/c1-8-4-2-5-9(12(8)16)14(18)10-6-3-7-11(15)13(10)17/h2-7,14,18H,1H3
InChIKeyPPTXMCLAOAJQIM-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-bromo-2-fluorophenyl)-(2,6-dimethylphenyl)methanol
CID 106644550
(3-bromo-2-fluorophenyl)-(2,4-difluoro-5-methylphenyl)methanol
CID 106648345
(3-bromo-2-fluorophenyl)-(4-fluoro-3,5-dimethylphenyl)methanol
CID 107955673
(3-bromo-2-fluorophenyl)-(2-bromo-4-methylphenyl)methanol
CID 106644538
(3-bromo-2-fluorophenyl)-(2,5-dimethylthiophen-3-yl)methanol
CID 106644397
(3-bromo-2-fluorophenyl)-(2,4,5-trifluorophenyl)methanol
CID 107955792
(S)-(3-bromo-2-fluorophenyl)-(2-chlorophenyl)methanol
CID 129410443
(2-bromo-4,5-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanol
CID 81479752
(3-bromo-2-chlorophenyl)-(2,3-difluoro-4-methylphenyl)methanol
CID 107516210
(3-bromo-2-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 106644358
(3-bromo-2-fluorophenyl)-(3,5-difluorophenyl)methanol
CID 106644628
(3-bromo-2-fluorophenyl)-(2-bromo-5-methoxyphenyl)methanol
CID 106648491

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-fluorophenyl)-(2-fluoro-3-methylphenyl)methanol?
The IUPAC name of (3-bromo-2-fluorophenyl)-(2-fluoro-3-methylphenyl)methanol (CID 106648481) is (3-bromo-2-fluorophenyl)-(2-fluoro-3-methylphenyl)methanol.
What is the SMILES notation for (3-bromo-2-fluorophenyl)-(2-fluoro-3-methylphenyl)methanol?
The canonical SMILES for (3-bromo-2-fluorophenyl)-(2-fluoro-3-methylphenyl)methanol is Cc1cccc(C(O)c2cccc(Br)c2F)c1F.
What is the InChIKey of (3-bromo-2-fluorophenyl)-(2-fluoro-3-methylphenyl)methanol?
The InChIKey is PPTXMCLAOAJQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF2O/c1-8-4-2-5-9(12(8)16)14(18)10-6-3-7-11(15)13(10)17/h2-7,14,18H,1H3.
What are the key properties of (3-bromo-2-fluorophenyl)-(2-fluoro-3-methylphenyl)methanol?
(3-bromo-2-fluorophenyl)-(2-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-2-fluorophenyl)-(2-fluoro-3-methylphenyl)methanol is sourced from PubChem (CID 106648481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).