3-bromo-4-(3-fluoro-4-octoxyphenyl)phenol

C20H24BrFO2 — CID 142496592

IUPAC3-bromo-4-(3-fluoro-4-octoxyphenyl)phenol
SMILESCCCCCCCCOc1ccc(-c2ccc(O)cc2Br)cc1F
InChIInChI=1S/C20H24BrFO2/c1-2-3-4-5-6-7-12-24-20-11-8-15(13-19(20)22)17-10-9-16(23)14-18(17)21/h8-11,13-14,23H,2-7,12H2,1H3
InChIKeyAQGDGOMNQGHWGT-UHFFFAOYSA-N
MW395.31 g/mol
LogP6.70
Rot. Bonds9

About 3-bromo-4-(3-fluoro-4-octoxyphenyl)phenol

3-bromo-4-(3-fluoro-4-octoxyphenyl)phenol (PubChem CID 142496592) has the molecular formula C20H24BrFO2 and a molecular weight of 395.31 g/mol. Its IUPAC name is 3-bromo-4-(3-fluoro-4-octoxyphenyl)phenol.

Molecular Properties

Compound Name3-bromo-4-(3-fluoro-4-octoxyphenyl)phenol
PubChem CID142496592
Molecular FormulaC20H24BrFO2
Molecular Weight395.31 g/mol
Exact Mass394.09
IUPAC Name3-bromo-4-(3-fluoro-4-octoxyphenyl)phenol
SMILESCCCCCCCCOc1ccc(-c2ccc(O)cc2Br)cc1F
InChIInChI=1S/C20H24BrFO2/c1-2-3-4-5-6-7-12-24-20-11-8-15(13-19(20)22)17-10-9-16(23)14-18(17)21/h8-11,13-14,23H,2-7,12H2,1H3
InChIKeyAQGDGOMNQGHWGT-UHFFFAOYSA-N
XLogP6.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.31
LogP ≤ 56.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-bromo-4-(3-fluoro-4-octoxyphenyl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Bromo-3-[(4-fluorophenyl)methoxy]benzene
CID 2758970
3-(3-Fluorobenzyloxy)-bromobenzene
CID 2758969
Benzene, 2-(4-bromophenoxy)-4-((2-(4-ethoxyphenyl)-2-methylprpoxy)methyl)-1-fluoro-
CID 3068499
1,1'-Biphenyl, 4-(4-bromobutoxy)-4'-methoxy-
CID 2795147
1-(Benzyloxy)-3-bromo-5-fluorobenzene
CID 11254516
2-Bromo-6-(4-methoxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol
CID 60148602
2,6-Dibromo-4-[2-(3,5-dibromo-4-prop-2-enoxyphenyl)propan-2-yl]phenol
CID 102198079
4-Bromo-4'-(pentyloxy)-1,1'-biphenyl
CID 2801388
1-Bromo-4-(4-octoxyphenyl)benzene
CID 2801787
1-Bromo-2-[(4-methylphenoxy)methyl]benzene
CID 223551
4-(Benzyloxy)-2-bromo-1-fluorobenzene
CID 20785494
[1,1'-Biphenyl]-2-ol, 4'-ethoxy-2',3,3'-trifluoro-
CID 118451624

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(3-fluoro-4-octoxyphenyl)phenol?
The IUPAC name of 3-bromo-4-(3-fluoro-4-octoxyphenyl)phenol (CID 142496592) is 3-bromo-4-(3-fluoro-4-octoxyphenyl)phenol.
What is the SMILES notation for 3-bromo-4-(3-fluoro-4-octoxyphenyl)phenol?
The canonical SMILES for 3-bromo-4-(3-fluoro-4-octoxyphenyl)phenol is CCCCCCCCOc1ccc(-c2ccc(O)cc2Br)cc1F.
What is the InChIKey of 3-bromo-4-(3-fluoro-4-octoxyphenyl)phenol?
The InChIKey is AQGDGOMNQGHWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrFO2/c1-2-3-4-5-6-7-12-24-20-11-8-15(13-19(20)22)17-10-9-16(23)14-18(17)21/h8-11,13-14,23H,2-7,12H2,1H3.
What are the key properties of 3-bromo-4-(3-fluoro-4-octoxyphenyl)phenol?
3-bromo-4-(3-fluoro-4-octoxyphenyl)phenol has a molecular weight of 395.31 g/mol, XLogP of 6.70, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(3-fluoro-4-octoxyphenyl)phenol is sourced from PubChem (CID 142496592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).