2,3-difluoro-1-(6-methoxyhexoxy)-4-[4-(4-pentylcyclohexyl)phenyl]benzene

C30H42F2O2 — CID 90049295

IUPAC2,3-difluoro-1-(6-methoxyhexoxy)-4-[4-(4-pentylcyclohexyl)phenyl]benzene
SMILESCCCCCC1CCC(c2ccc(-c3ccc(OCCCCCCOC)c(F)c3F)cc2)CC1
InChIInChI=1S/C30H42F2O2/c1-3-4-7-10-23-11-13-24(14-12-23)25-15-17-26(18-16-25)27-19-20-28(30(32)29(27)31)34-22-9-6-5-8-21-33-2/h15-20,23-24H,3-14,21-22H2,1-2H3
InChIKeyUGZPEAVNWYRPPI-UHFFFAOYSA-N
MW472.66 g/mol
LogP9.07
Rot. Bonds14

About 2,3-difluoro-1-(6-methoxyhexoxy)-4-[4-(4-pentylcyclohexyl)phenyl]benzene

2,3-difluoro-1-(6-methoxyhexoxy)-4-[4-(4-pentylcyclohexyl)phenyl]benzene (PubChem CID 90049295) has the molecular formula C30H42F2O2 and a molecular weight of 472.66 g/mol. Its IUPAC name is 2,3-difluoro-1-(6-methoxyhexoxy)-4-[4-(4-pentylcyclohexyl)phenyl]benzene.

Molecular Properties

Compound Name2,3-difluoro-1-(6-methoxyhexoxy)-4-[4-(4-pentylcyclohexyl)phenyl]benzene
PubChem CID90049295
Molecular FormulaC30H42F2O2
Molecular Weight472.66 g/mol
Exact Mass472.32
IUPAC Name2,3-difluoro-1-(6-methoxyhexoxy)-4-[4-(4-pentylcyclohexyl)phenyl]benzene
SMILESCCCCCC1CCC(c2ccc(-c3ccc(OCCCCCCOC)c(F)c3F)cc2)CC1
InChIInChI=1S/C30H42F2O2/c1-3-4-7-10-23-11-13-24(14-12-23)25-15-17-26(18-16-25)27-19-20-28(30(32)29(27)31)34-22-9-6-5-8-21-33-2/h15-20,23-24H,3-14,21-22H2,1-2H3
InChIKeyUGZPEAVNWYRPPI-UHFFFAOYSA-N
XLogP9.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.66
LogP ≤ 59.07
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-(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
2,3-difluoro-1-pentoxy-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 134358507
2,3-difluoro-1-[4-[2-fluoro-4-(4-heptylcyclohexyl)phenyl]phenyl]-4-propoxybenzene
CID 67730033
2,3-difluoro-1-[4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-4-pentoxybenzene
CID 67729736
1-[4-(2,3-difluoro-4-octoxyphenyl)phenyl]-2,3-difluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene
CID 67738211
2,3-difluoro-1-[2-fluoro-4-(4-octylcyclohexyl)phenyl]-4-nonoxybenzene
CID 59874121
2,3-difluoro-1-[4-[2-fluoro-4-[4-(methoxymethyl)cyclohexyl]phenyl]phenyl]-4-hexoxybenzene
CID 67730040
1-ethenoxy-2,3-difluoro-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 134358618
2,3-difluoro-1-[4-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]phenyl]-4-heptoxybenzene
CID 67737369
2,3-difluoro-1-octoxy-4-[4-[(4-pentylcyclohexyl)oxymethyl]phenyl]benzene
CID 20665383

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-(6-methoxyhexoxy)-4-[4-(4-pentylcyclohexyl)phenyl]benzene?
The IUPAC name of 2,3-difluoro-1-(6-methoxyhexoxy)-4-[4-(4-pentylcyclohexyl)phenyl]benzene (CID 90049295) is 2,3-difluoro-1-(6-methoxyhexoxy)-4-[4-(4-pentylcyclohexyl)phenyl]benzene.
What is the SMILES notation for 2,3-difluoro-1-(6-methoxyhexoxy)-4-[4-(4-pentylcyclohexyl)phenyl]benzene?
The canonical SMILES for 2,3-difluoro-1-(6-methoxyhexoxy)-4-[4-(4-pentylcyclohexyl)phenyl]benzene is CCCCCC1CCC(c2ccc(-c3ccc(OCCCCCCOC)c(F)c3F)cc2)CC1.
What is the InChIKey of 2,3-difluoro-1-(6-methoxyhexoxy)-4-[4-(4-pentylcyclohexyl)phenyl]benzene?
The InChIKey is UGZPEAVNWYRPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42F2O2/c1-3-4-7-10-23-11-13-24(14-12-23)25-15-17-26(18-16-25)27-19-20-28(30(32)29(27)31)34-22-9-6-5-8-21-33-2/h15-20,23-24H,3-14,21-22H2,1-2H3.
What are the key properties of 2,3-difluoro-1-(6-methoxyhexoxy)-4-[4-(4-pentylcyclohexyl)phenyl]benzene?
2,3-difluoro-1-(6-methoxyhexoxy)-4-[4-(4-pentylcyclohexyl)phenyl]benzene has a molecular weight of 472.66 g/mol, XLogP of 9.07, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1-(6-methoxyhexoxy)-4-[4-(4-pentylcyclohexyl)phenyl]benzene is sourced from PubChem (CID 90049295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).