2,3-difluoro-1-hexoxy-4-[(4-pentylcyclohexyl)methoxy]benzene

C24H38F2O2 — CID 19103474

IUPAC2,3-difluoro-1-hexoxy-4-[(4-pentylcyclohexyl)methoxy]benzene
SMILESCCCCCCOc1ccc(OCC2CCC(CCCCC)CC2)c(F)c1F
InChIInChI=1S/C24H38F2O2/c1-3-5-7-9-17-27-21-15-16-22(24(26)23(21)25)28-18-20-13-11-19(12-14-20)10-8-6-4-2/h15-16,19-20H,3-14,17-18H2,1-2H3
InChIKeyWGZXSENMTNTBMY-UHFFFAOYSA-N
MW396.56 g/mol
LogP7.69
Rot. Bonds13

About 2,3-difluoro-1-hexoxy-4-[(4-pentylcyclohexyl)methoxy]benzene

2,3-difluoro-1-hexoxy-4-[(4-pentylcyclohexyl)methoxy]benzene (PubChem CID 19103474) has the molecular formula C24H38F2O2 and a molecular weight of 396.56 g/mol. Its IUPAC name is 2,3-difluoro-1-hexoxy-4-[(4-pentylcyclohexyl)methoxy]benzene.

Molecular Properties

Compound Name2,3-difluoro-1-hexoxy-4-[(4-pentylcyclohexyl)methoxy]benzene
PubChem CID19103474
Molecular FormulaC24H38F2O2
Molecular Weight396.56 g/mol
Exact Mass396.28
IUPAC Name2,3-difluoro-1-hexoxy-4-[(4-pentylcyclohexyl)methoxy]benzene
SMILESCCCCCCOc1ccc(OCC2CCC(CCCCC)CC2)c(F)c1F
InChIInChI=1S/C24H38F2O2/c1-3-5-7-9-17-27-21-15-16-22(24(26)23(21)25)28-18-20-13-11-19(12-14-20)10-8-6-4-2/h15-16,19-20H,3-14,17-18H2,1-2H3
InChIKeyWGZXSENMTNTBMY-UHFFFAOYSA-N
XLogP7.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.56
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-difluoro-1-octoxy-4-(4-octylcyclohexyl)benzene
CID 19103732
2,3-difluoro-1-methoxy-4-[[4-(4-pentylcyclohexyl)cyclohexyl]methoxy]benzene
CID 19792983
2,3-difluoro-1-[4-[2-(4-heptylcyclohexyl)ethyl]cyclohexyl]-4-pentoxybenzene
CID 67896005
1-butoxy-4-[(4-butylcyclohexyl)methoxy]-2,3-difluorobenzene;1-butoxy-2,3-difluoro-4-[(4-pentylcyclohexyl)methoxy]benzene;1-butoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene;1-[(4-butylcyclohexyl)methoxy]-2,3-difluoro-4-pentoxybenzene;1-[(4-butylcyclohexyl)methoxy]-2,3-difluoro-4-propoxybenzene;2,3-difluoro-1-[(4-pentylcyclohexyl)methoxy]-4-propoxybenzene;1-ethoxy-2,3-difluoro-4-[(4-pentylcyclohexyl)methoxy]benzene;1-ethoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene;1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-pentoxybenzene;1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-propoxybenzene;molecular hydrogen
CID 158630984
2,3-difluoro-4-[[4-(4-hexylcyclohexyl)cyclohexyl]methoxy]benzonitrile
CID 18639251
2,3-difluoro-1-[4-(4-hexylcyclohexyl)cyclohexyl]-4-pentoxybenzene
CID 134358391
2-[4-[(4-butoxy-2,3-difluorophenoxy)methyl]cyclohexyl]-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 67967423
1-[2,3-difluoro-4-(4-octylcyclohexyl)phenyl]-2,3-difluoro-4-pentoxybenzene
CID 134358701
(2,3-difluoro-4-heptoxyphenyl) 4-pentylcyclohexane-1-carboxylate
CID 19103478
1-[(4-ethylcyclohexyl)methoxy]-2,3-difluoro-4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]benzene
CID 67895712
2,3-difluoro-1-hexoxy-4-[2-(4-hexylcyclohexyl)ethynyl]benzene
CID 19985025
2,3-difluoro-1,4-dihexoxybenzene
CID 125465685

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-hexoxy-4-[(4-pentylcyclohexyl)methoxy]benzene?
The IUPAC name of 2,3-difluoro-1-hexoxy-4-[(4-pentylcyclohexyl)methoxy]benzene (CID 19103474) is 2,3-difluoro-1-hexoxy-4-[(4-pentylcyclohexyl)methoxy]benzene.
What is the SMILES notation for 2,3-difluoro-1-hexoxy-4-[(4-pentylcyclohexyl)methoxy]benzene?
The canonical SMILES for 2,3-difluoro-1-hexoxy-4-[(4-pentylcyclohexyl)methoxy]benzene is CCCCCCOc1ccc(OCC2CCC(CCCCC)CC2)c(F)c1F.
What is the InChIKey of 2,3-difluoro-1-hexoxy-4-[(4-pentylcyclohexyl)methoxy]benzene?
The InChIKey is WGZXSENMTNTBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38F2O2/c1-3-5-7-9-17-27-21-15-16-22(24(26)23(21)25)28-18-20-13-11-19(12-14-20)10-8-6-4-2/h15-16,19-20H,3-14,17-18H2,1-2H3.
What are the key properties of 2,3-difluoro-1-hexoxy-4-[(4-pentylcyclohexyl)methoxy]benzene?
2,3-difluoro-1-hexoxy-4-[(4-pentylcyclohexyl)methoxy]benzene has a molecular weight of 396.56 g/mol, XLogP of 7.69, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1-hexoxy-4-[(4-pentylcyclohexyl)methoxy]benzene is sourced from PubChem (CID 19103474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).