(2-bromo-4-fluorophenyl)-(4-butylphenyl)methanol

C17H18BrFO — CID 63427122

IUPAC(2-bromo-4-fluorophenyl)-(4-butylphenyl)methanol
SMILESCCCCc1ccc(C(O)c2ccc(F)cc2Br)cc1
InChIInChI=1S/C17H18BrFO/c1-2-3-4-12-5-7-13(8-6-12)17(20)15-10-9-14(19)11-16(15)18/h5-11,17,20H,2-4H2,1H3
InChIKeyNQFNICPRRAVJJY-UHFFFAOYSA-N
MW337.23 g/mol
LogP5.01
Rot. Bonds5

About (2-bromo-4-fluorophenyl)-(4-butylphenyl)methanol

(2-bromo-4-fluorophenyl)-(4-butylphenyl)methanol (PubChem CID 63427122) has the molecular formula C17H18BrFO and a molecular weight of 337.23 g/mol. Its IUPAC name is (2-bromo-4-fluorophenyl)-(4-butylphenyl)methanol.

Molecular Properties

Compound Name(2-bromo-4-fluorophenyl)-(4-butylphenyl)methanol
PubChem CID63427122
Molecular FormulaC17H18BrFO
Molecular Weight337.23 g/mol
Exact Mass336.05
IUPAC Name(2-bromo-4-fluorophenyl)-(4-butylphenyl)methanol
SMILESCCCCc1ccc(C(O)c2ccc(F)cc2Br)cc1
InChIInChI=1S/C17H18BrFO/c1-2-3-4-12-5-7-13(8-6-12)17(20)15-10-9-14(19)11-16(15)18/h5-11,17,20H,2-4H2,1H3
InChIKeyNQFNICPRRAVJJY-UHFFFAOYSA-N
XLogP5.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.23
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-1-[(4-butylphenyl)-chloromethyl]-4-fluorobenzene
CID 63431902
1-(2-bromo-4-fluorophenyl)-1-(4-butylphenyl)-N-methylmethanamine
CID 43484374
(2-bromo-5-methylphenyl)-(4-butylphenyl)methanol
CID 81112230
(2-bromo-5-fluorophenyl)-(4-butylphenyl)methanamine
CID 43096393
(2-bromo-4-fluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanol
CID 66257836
(4-butylphenyl)-(2-fluoro-5-methylphenyl)methanol
CID 63426915
1-(2-bromo-4-fluorophenyl)hexan-1-ol
CID 115784379
(4-butylphenyl)-(2,4-dimethylphenyl)methanol
CID 63426615
(3-bromo-4-methylphenyl)-(4-butylphenyl)methanol
CID 81476235
(2-bromo-4-fluorophenyl)-(3-bromo-4-methoxyphenyl)methanol
CID 61101513
2-[bromo-(4-butylphenyl)methyl]-4-fluoro-1-methylbenzene
CID 63439662
1-[(4-butylphenyl)-chloromethyl]-2-chloro-4-fluorobenzene
CID 63431388

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-fluorophenyl)-(4-butylphenyl)methanol?
The IUPAC name of (2-bromo-4-fluorophenyl)-(4-butylphenyl)methanol (CID 63427122) is (2-bromo-4-fluorophenyl)-(4-butylphenyl)methanol.
What is the SMILES notation for (2-bromo-4-fluorophenyl)-(4-butylphenyl)methanol?
The canonical SMILES for (2-bromo-4-fluorophenyl)-(4-butylphenyl)methanol is CCCCc1ccc(C(O)c2ccc(F)cc2Br)cc1.
What is the InChIKey of (2-bromo-4-fluorophenyl)-(4-butylphenyl)methanol?
The InChIKey is NQFNICPRRAVJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrFO/c1-2-3-4-12-5-7-13(8-6-12)17(20)15-10-9-14(19)11-16(15)18/h5-11,17,20H,2-4H2,1H3.
What are the key properties of (2-bromo-4-fluorophenyl)-(4-butylphenyl)methanol?
(2-bromo-4-fluorophenyl)-(4-butylphenyl)methanol has a molecular weight of 337.23 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-fluorophenyl)-(4-butylphenyl)methanol is sourced from PubChem (CID 63427122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).