1-(4-butylphenyl)-3,4-difluoro-2-methoxybenzene

C17H18F2O — CID 141109790

IUPAC1-(4-butylphenyl)-3,4-difluoro-2-methoxybenzene
SMILESCCCCc1ccc(-c2ccc(F)c(F)c2OC)cc1
InChIInChI=1S/C17H18F2O/c1-3-4-5-12-6-8-13(9-7-12)14-10-11-15(18)16(19)17(14)20-2/h6-11H,3-5H2,1-2H3
InChIKeyWIPDFKVVVCKSAQ-UHFFFAOYSA-N
MW276.33 g/mol
LogP4.98
Rot. Bonds5

About 1-(4-butylphenyl)-3,4-difluoro-2-methoxybenzene

1-(4-butylphenyl)-3,4-difluoro-2-methoxybenzene (PubChem CID 141109790) has the molecular formula C17H18F2O and a molecular weight of 276.33 g/mol. Its IUPAC name is 1-(4-butylphenyl)-3,4-difluoro-2-methoxybenzene.

Molecular Properties

Compound Name1-(4-butylphenyl)-3,4-difluoro-2-methoxybenzene
PubChem CID141109790
Molecular FormulaC17H18F2O
Molecular Weight276.33 g/mol
Exact Mass276.13
IUPAC Name1-(4-butylphenyl)-3,4-difluoro-2-methoxybenzene
SMILESCCCCc1ccc(-c2ccc(F)c(F)c2OC)cc1
InChIInChI=1S/C17H18F2O/c1-3-4-5-12-6-8-13(9-7-12)14-10-11-15(18)16(19)17(14)20-2/h6-11H,3-5H2,1-2H3
InChIKeyWIPDFKVVVCKSAQ-UHFFFAOYSA-N
XLogP4.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(4-butylphenyl)-3-fluorophenyl]-2,4-difluoro-3-methylbenzene
CID 169027142
1,2-difluoro-3-methoxy-4-[2-(4-tetradecylphenyl)ethynyl]benzene
CID 141091997
2,3-difluoro-1-(4-pentylphenyl)-4-(4-propylphenyl)benzene
CID 14495749
1-(4-butylphenyl)-2,5-difluoro-4-(4-propylphenyl)benzene
CID 71422219
4-butyl-2-fluoro-1-[4-[2-(4-pentylphenyl)ethyl]phenyl]benzene
CID 19906913
1-[3-(4-butylphenyl)-4-fluorophenyl]-N-methylmethanamine
CID 63424877
1,2-dimethoxy-3-(4-pentylphenyl)benzene
CID 175313159
2,3-difluoro-1-[3-fluoro-4-(4-hexylphenyl)phenyl]-4-methoxybenzene
CID 121369860
2,3-difluoro-1-[4-(4-methylphenyl)phenyl]-4-(4-pentylphenyl)benzene
CID 20679712
1-butyl-4-(4-chlorophenyl)benzene
CID 71329795
2-fluoro-4-[3-fluoro-4-(4-pentylphenyl)phenyl]-1-(4-propylphenyl)benzene
CID 59547087
2-fluoro-1-(4-heptylphenyl)-4-[2-(4-pentylphenyl)ethyl]benzene
CID 19906944

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-3,4-difluoro-2-methoxybenzene?
The IUPAC name of 1-(4-butylphenyl)-3,4-difluoro-2-methoxybenzene (CID 141109790) is 1-(4-butylphenyl)-3,4-difluoro-2-methoxybenzene.
What is the SMILES notation for 1-(4-butylphenyl)-3,4-difluoro-2-methoxybenzene?
The canonical SMILES for 1-(4-butylphenyl)-3,4-difluoro-2-methoxybenzene is CCCCc1ccc(-c2ccc(F)c(F)c2OC)cc1.
What is the InChIKey of 1-(4-butylphenyl)-3,4-difluoro-2-methoxybenzene?
The InChIKey is WIPDFKVVVCKSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2O/c1-3-4-5-12-6-8-13(9-7-12)14-10-11-15(18)16(19)17(14)20-2/h6-11H,3-5H2,1-2H3.
What are the key properties of 1-(4-butylphenyl)-3,4-difluoro-2-methoxybenzene?
1-(4-butylphenyl)-3,4-difluoro-2-methoxybenzene has a molecular weight of 276.33 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-3,4-difluoro-2-methoxybenzene is sourced from PubChem (CID 141109790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).