(4-bromo-3-methylphenyl)-(2-fluoro-3-methoxyphenyl)methanol

C15H14BrFO2 — CID 82806466

IUPAC(4-bromo-3-methylphenyl)-(2-fluoro-3-methoxyphenyl)methanol
SMILESCOc1cccc(C(O)c2ccc(Br)c(C)c2)c1F
InChIInChI=1S/C15H14BrFO2/c1-9-8-10(6-7-12(9)16)15(18)11-4-3-5-13(19-2)14(11)17/h3-8,15,18H,1-2H3
InChIKeyTXZDKJLUOYEFSA-UHFFFAOYSA-N
MW325.18 g/mol
LogP3.99
Rot. Bonds3

About (4-bromo-3-methylphenyl)-(2-fluoro-3-methoxyphenyl)methanol

(4-bromo-3-methylphenyl)-(2-fluoro-3-methoxyphenyl)methanol (PubChem CID 82806466) has the molecular formula C15H14BrFO2 and a molecular weight of 325.18 g/mol. Its IUPAC name is (4-bromo-3-methylphenyl)-(2-fluoro-3-methoxyphenyl)methanol.

Molecular Properties

Compound Name(4-bromo-3-methylphenyl)-(2-fluoro-3-methoxyphenyl)methanol
PubChem CID82806466
Molecular FormulaC15H14BrFO2
Molecular Weight325.18 g/mol
Exact Mass324.02
IUPAC Name(4-bromo-3-methylphenyl)-(2-fluoro-3-methoxyphenyl)methanol
SMILESCOc1cccc(C(O)c2ccc(Br)c(C)c2)c1F
InChIInChI=1S/C15H14BrFO2/c1-9-8-10(6-7-12(9)16)15(18)11-4-3-5-13(19-2)14(11)17/h3-8,15,18H,1-2H3
InChIKeyTXZDKJLUOYEFSA-UHFFFAOYSA-N
XLogP3.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.18
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-fluoro-3-methoxyphenyl)-(3-methoxy-4-methylphenyl)methanol
CID 115828621
N-[(4-bromo-3-methylphenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 105024887
(4-bromo-3-methylphenyl)-(2,5-dimethoxyphenyl)methanol
CID 81447590
(3-bromo-4-methoxyphenyl)-(2,3-difluorophenyl)methanol
CID 62660225
(4-fluoro-3-methylphenyl)-(2-methoxyphenyl)methanol
CID 60929843
(3-bromo-2-fluorophenyl)-(4-fluoro-3,5-dimethylphenyl)methanol
CID 107955673
(5-bromo-2-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82805632
(2,3-difluorophenyl)-(3-methoxy-4-methylphenyl)methanol
CID 115800901
[4-(dimethylamino)phenyl]-(2-fluoro-3-methoxyphenyl)methanol
CID 82805394
(2-amino-5-bromophenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82807801
[3-(dimethylamino)phenyl]-(2-fluoro-3-methoxyphenyl)methanol
CID 105120885
(2,3-dimethylphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82806744

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-methylphenyl)-(2-fluoro-3-methoxyphenyl)methanol?
The IUPAC name of (4-bromo-3-methylphenyl)-(2-fluoro-3-methoxyphenyl)methanol (CID 82806466) is (4-bromo-3-methylphenyl)-(2-fluoro-3-methoxyphenyl)methanol.
What is the SMILES notation for (4-bromo-3-methylphenyl)-(2-fluoro-3-methoxyphenyl)methanol?
The canonical SMILES for (4-bromo-3-methylphenyl)-(2-fluoro-3-methoxyphenyl)methanol is COc1cccc(C(O)c2ccc(Br)c(C)c2)c1F.
What is the InChIKey of (4-bromo-3-methylphenyl)-(2-fluoro-3-methoxyphenyl)methanol?
The InChIKey is TXZDKJLUOYEFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFO2/c1-9-8-10(6-7-12(9)16)15(18)11-4-3-5-13(19-2)14(11)17/h3-8,15,18H,1-2H3.
What are the key properties of (4-bromo-3-methylphenyl)-(2-fluoro-3-methoxyphenyl)methanol?
(4-bromo-3-methylphenyl)-(2-fluoro-3-methoxyphenyl)methanol has a molecular weight of 325.18 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-methylphenyl)-(2-fluoro-3-methoxyphenyl)methanol is sourced from PubChem (CID 82806466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).