1-butoxy-4-(4-cyclohexylphenyl)-2,3-difluorobenzene

C22H26F2O — CID 173349643

IUPAC1-butoxy-4-(4-cyclohexylphenyl)-2,3-difluorobenzene
SMILESCCCCOc1ccc(-c2ccc(C3CCCCC3)cc2)c(F)c1F
InChIInChI=1S/C22H26F2O/c1-2-3-15-25-20-14-13-19(21(23)22(20)24)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h9-14,16H,2-8,15H2,1H3
InChIKeyCXHOOZSIEFZQQR-UHFFFAOYSA-N
MW344.45 g/mol
LogP6.86
Rot. Bonds6

About 1-butoxy-4-(4-cyclohexylphenyl)-2,3-difluorobenzene

1-butoxy-4-(4-cyclohexylphenyl)-2,3-difluorobenzene (PubChem CID 173349643) has the molecular formula C22H26F2O and a molecular weight of 344.45 g/mol. Its IUPAC name is 1-butoxy-4-(4-cyclohexylphenyl)-2,3-difluorobenzene.

Molecular Properties

Compound Name1-butoxy-4-(4-cyclohexylphenyl)-2,3-difluorobenzene
PubChem CID173349643
Molecular FormulaC22H26F2O
Molecular Weight344.45 g/mol
Exact Mass344.20
IUPAC Name1-butoxy-4-(4-cyclohexylphenyl)-2,3-difluorobenzene
SMILESCCCCOc1ccc(-c2ccc(C3CCCCC3)cc2)c(F)c1F
InChIInChI=1S/C22H26F2O/c1-2-3-15-25-20-14-13-19(21(23)22(20)24)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h9-14,16H,2-8,15H2,1H3
InChIKeyCXHOOZSIEFZQQR-UHFFFAOYSA-N
XLogP6.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.45
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,3-difluoro-1-pentoxy-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 134358507
2,3-difluoro-1-octoxy-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 14495692
2,3-difluoro-1-[4-(4-hexylcyclohexyl)phenyl]-4-octoxybenzene
CID 134358528
2,3-difluoro-1-[4-(4-hexylcyclohexyl)phenyl]-4-propoxybenzene
CID 134358520
1-butoxy-2,3-difluoro-4-[4-[2-[4-(4-propylphenyl)cyclohexyl]ethyl]phenyl]benzene
CID 154607360
1-(4-cyclohexylphenyl)-2,3-difluoro-4-prop-2-enoxybenzene
CID 134359475
2,3-difluoro-1-(6-methoxyhexoxy)-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 90049295
1-[4-(4-ethenylcyclohexyl)phenyl]-2,3-difluoro-4-propoxybenzene
CID 134358545
4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-1-methyl-1-pentylcycloheptane
CID 145346141
1-ethoxy-2,3-difluoro-4-[4-(4-methyl-4-pentoxycyclohexyl)phenyl]benzene
CID 130197949
4-(4-cyclohexylphenyl)-2-fluoro-1-pentoxybenzene
CID 173349754
4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]cyclohexan-1-amine
CID 163615005

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-4-(4-cyclohexylphenyl)-2,3-difluorobenzene?
The IUPAC name of 1-butoxy-4-(4-cyclohexylphenyl)-2,3-difluorobenzene (CID 173349643) is 1-butoxy-4-(4-cyclohexylphenyl)-2,3-difluorobenzene.
What is the SMILES notation for 1-butoxy-4-(4-cyclohexylphenyl)-2,3-difluorobenzene?
The canonical SMILES for 1-butoxy-4-(4-cyclohexylphenyl)-2,3-difluorobenzene is CCCCOc1ccc(-c2ccc(C3CCCCC3)cc2)c(F)c1F.
What is the InChIKey of 1-butoxy-4-(4-cyclohexylphenyl)-2,3-difluorobenzene?
The InChIKey is CXHOOZSIEFZQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2O/c1-2-3-15-25-20-14-13-19(21(23)22(20)24)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h9-14,16H,2-8,15H2,1H3.
What are the key properties of 1-butoxy-4-(4-cyclohexylphenyl)-2,3-difluorobenzene?
1-butoxy-4-(4-cyclohexylphenyl)-2,3-difluorobenzene has a molecular weight of 344.45 g/mol, XLogP of 6.86, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-4-(4-cyclohexylphenyl)-2,3-difluorobenzene is sourced from PubChem (CID 173349643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).