6-[4-(4-bromo-2-fluorophenyl)phenyl]heptan-1-ol

C19H22BrFO — CID 71146463

IUPAC6-[4-(4-bromo-2-fluorophenyl)phenyl]heptan-1-ol
SMILESCC(CCCCCO)c1ccc(-c2ccc(Br)cc2F)cc1
InChIInChI=1S/C19H22BrFO/c1-14(5-3-2-4-12-22)15-6-8-16(9-7-15)18-11-10-17(20)13-19(18)21/h6-11,13-14,22H,2-5,12H2,1H3
InChIKeyLJXHZCSBOAGAGR-UHFFFAOYSA-N
MW365.29 g/mol
LogP5.91
Rot. Bonds7

About 6-[4-(4-bromo-2-fluorophenyl)phenyl]heptan-1-ol

6-[4-(4-bromo-2-fluorophenyl)phenyl]heptan-1-ol (PubChem CID 71146463) has the molecular formula C19H22BrFO and a molecular weight of 365.29 g/mol. Its IUPAC name is 6-[4-(4-bromo-2-fluorophenyl)phenyl]heptan-1-ol.

Molecular Properties

Compound Name6-[4-(4-bromo-2-fluorophenyl)phenyl]heptan-1-ol
PubChem CID71146463
Molecular FormulaC19H22BrFO
Molecular Weight365.29 g/mol
Exact Mass364.08
IUPAC Name6-[4-(4-bromo-2-fluorophenyl)phenyl]heptan-1-ol
SMILESCC(CCCCCO)c1ccc(-c2ccc(Br)cc2F)cc1
InChIInChI=1S/C19H22BrFO/c1-14(5-3-2-4-12-22)15-6-8-16(9-7-15)18-11-10-17(20)13-19(18)21/h6-11,13-14,22H,2-5,12H2,1H3
InChIKeyLJXHZCSBOAGAGR-UHFFFAOYSA-N
XLogP5.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.29
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[4-(2,4-dibromophenyl)phenyl]butan-1-ol
CID 21322590
2-[4-(4-bromo-2-fluorophenyl)-3-fluorophenyl]propan-1-ol
CID 21406772
4-(4-bromo-2-fluorophenyl)-N-(5-hydroxypentyl)benzenesulfonamide
CID 143148426
4-(4-bromo-2-fluorophenyl)benzoic acid
CID 54325449
4-bromo-2-fluoro-1-(4-propylphenyl)benzene
CID 22717506
1-[4-(4-bromo-2-fluorophenyl)phenyl]propan-1-one
CID 822002
2-[4-(2,4-difluorophenyl)phenyl]decane-1,1,1-triol
CID 172686688
12-(4-nitrophenyl)tridecan-1-ol
CID 173362113
(2S)-2-[[4-(4-bromo-2-fluorophenyl)phenyl]sulfonylamino]-3-methylbutanoic acid
CID 10788733
3-(4-bromo-2-fluorophenyl)butan-1-amine
CID 117367048
2-[4-(4-bromo-2-fluorophenyl)-3-fluorophenyl]propanal
CID 21406740
1-(4-bromo-2-fluorophenyl)hexan-1-ol
CID 65148094

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-bromo-2-fluorophenyl)phenyl]heptan-1-ol?
The IUPAC name of 6-[4-(4-bromo-2-fluorophenyl)phenyl]heptan-1-ol (CID 71146463) is 6-[4-(4-bromo-2-fluorophenyl)phenyl]heptan-1-ol.
What is the SMILES notation for 6-[4-(4-bromo-2-fluorophenyl)phenyl]heptan-1-ol?
The canonical SMILES for 6-[4-(4-bromo-2-fluorophenyl)phenyl]heptan-1-ol is CC(CCCCCO)c1ccc(-c2ccc(Br)cc2F)cc1.
What is the InChIKey of 6-[4-(4-bromo-2-fluorophenyl)phenyl]heptan-1-ol?
The InChIKey is LJXHZCSBOAGAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrFO/c1-14(5-3-2-4-12-22)15-6-8-16(9-7-15)18-11-10-17(20)13-19(18)21/h6-11,13-14,22H,2-5,12H2,1H3.
What are the key properties of 6-[4-(4-bromo-2-fluorophenyl)phenyl]heptan-1-ol?
6-[4-(4-bromo-2-fluorophenyl)phenyl]heptan-1-ol has a molecular weight of 365.29 g/mol, XLogP of 5.91, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-bromo-2-fluorophenyl)phenyl]heptan-1-ol is sourced from PubChem (CID 71146463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).