1-[4-[[4-(4-but-3-enylcyclohexyl)cyclohexyl]methoxy]phenyl]-2,3-difluoro-4-propylbenzene

C32H42F2O — CID 154607199

IUPAC1-[4-[[4-(4-but-3-enylcyclohexyl)cyclohexyl]methoxy]phenyl]-2,3-difluoro-4-propylbenzene
SMILESC=CCCC1CCC(C2CCC(COc3ccc(-c4ccc(CCC)c(F)c4F)cc3)CC2)CC1
InChIInChI=1S/C32H42F2O/c1-3-5-7-23-8-12-25(13-9-23)26-14-10-24(11-15-26)22-35-29-19-16-27(17-20-29)30-21-18-28(6-4-2)31(33)32(30)34/h3,16-21,23-26H,1,4-15,22H2,2H3
InChIKeyVYIAVUWOUPRTDR-UHFFFAOYSA-N
MW480.68 g/mol
LogP9.54
Rot. Bonds10

About 1-[4-[[4-(4-but-3-enylcyclohexyl)cyclohexyl]methoxy]phenyl]-2,3-difluoro-4-propylbenzene

1-[4-[[4-(4-but-3-enylcyclohexyl)cyclohexyl]methoxy]phenyl]-2,3-difluoro-4-propylbenzene (PubChem CID 154607199) has the molecular formula C32H42F2O and a molecular weight of 480.68 g/mol. Its IUPAC name is 1-[4-[[4-(4-but-3-enylcyclohexyl)cyclohexyl]methoxy]phenyl]-2,3-difluoro-4-propylbenzene.

Molecular Properties

Compound Name1-[4-[[4-(4-but-3-enylcyclohexyl)cyclohexyl]methoxy]phenyl]-2,3-difluoro-4-propylbenzene
PubChem CID154607199
Molecular FormulaC32H42F2O
Molecular Weight480.68 g/mol
Exact Mass480.32
IUPAC Name1-[4-[[4-(4-but-3-enylcyclohexyl)cyclohexyl]methoxy]phenyl]-2,3-difluoro-4-propylbenzene
SMILESC=CCCC1CCC(C2CCC(COc3ccc(-c4ccc(CCC)c(F)c4F)cc3)CC2)CC1
InChIInChI=1S/C32H42F2O/c1-3-5-7-23-8-12-25(13-9-23)26-14-10-24(11-15-26)22-35-29-19-16-27(17-20-29)30-21-18-28(6-4-2)31(33)32(30)34/h3,16-21,23-26H,1,4-15,22H2,2H3
InChIKeyVYIAVUWOUPRTDR-UHFFFAOYSA-N
XLogP9.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.68
LogP ≤ 59.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[4-[[4-(4-but-3-enylcyclohexyl)cyclohexyl]methoxy]phenyl]-2,3-difluoro-4-propylbenzene with MolForge

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Related Compounds

1-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-4-[4-(2,3-difluoro-4-pentylphenyl)phenyl]-2,3-difluorobenzene
CID 67738474
1-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-4-[4-(4-ethyl-2,3-difluorophenyl)phenyl]-2,3-difluorobenzene
CID 67738437
1-[4-[4-[2-(4-but-3-enylcyclohexyl)ethyl]phenyl]phenyl]-2,3-difluoro-4-pentylbenzene
CID 154607339
1-[4-[4-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-3-fluorophenyl]phenyl]-2,3-difluoro-4-octylbenzene
CID 67738035
1-[4-[2,3-difluoro-4-[4-(4-pent-3-enylcyclohexyl)cyclohexyl]phenyl]phenyl]-2,3-difluoro-4-propylbenzene
CID 77345546
2,3-difluoro-1-prop-1-enoxy-4-[4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]phenyl]benzene
CID 123181388
1-[4-[4-[(4-ethenylcyclohexyl)methoxy]phenyl]phenyl]-4-ethoxy-2,3-difluorobenzene
CID 154607241
1-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-4-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]-2,3-difluorobenzene
CID 67738483
5-but-3-enyl-2-[4-[4-(4-butyl-2,3-difluorophenyl)phenyl]-2,3-difluorophenyl]oxane
CID 67732985
1-[4-[4-[4-(4-ethylcyclohexyl)butoxy]phenyl]phenyl]-2,3-difluoro-4-pentylbenzene
CID 121459298
1-[2-[4-[4-(4-ethenylcyclohexyl)cyclohexyl]cyclohexyl]ethyl]-2,3-difluoro-4-propylbenzene
CID 154607349
1-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-4-(2,3-difluoro-4-heptylphenyl)-2,3-difluorobenzene
CID 20621628

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-(4-but-3-enylcyclohexyl)cyclohexyl]methoxy]phenyl]-2,3-difluoro-4-propylbenzene?
The IUPAC name of 1-[4-[[4-(4-but-3-enylcyclohexyl)cyclohexyl]methoxy]phenyl]-2,3-difluoro-4-propylbenzene (CID 154607199) is 1-[4-[[4-(4-but-3-enylcyclohexyl)cyclohexyl]methoxy]phenyl]-2,3-difluoro-4-propylbenzene.
What is the SMILES notation for 1-[4-[[4-(4-but-3-enylcyclohexyl)cyclohexyl]methoxy]phenyl]-2,3-difluoro-4-propylbenzene?
The canonical SMILES for 1-[4-[[4-(4-but-3-enylcyclohexyl)cyclohexyl]methoxy]phenyl]-2,3-difluoro-4-propylbenzene is C=CCCC1CCC(C2CCC(COc3ccc(-c4ccc(CCC)c(F)c4F)cc3)CC2)CC1.
What is the InChIKey of 1-[4-[[4-(4-but-3-enylcyclohexyl)cyclohexyl]methoxy]phenyl]-2,3-difluoro-4-propylbenzene?
The InChIKey is VYIAVUWOUPRTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42F2O/c1-3-5-7-23-8-12-25(13-9-23)26-14-10-24(11-15-26)22-35-29-19-16-27(17-20-29)30-21-18-28(6-4-2)31(33)32(30)34/h3,16-21,23-26H,1,4-15,22H2,2H3.
What are the key properties of 1-[4-[[4-(4-but-3-enylcyclohexyl)cyclohexyl]methoxy]phenyl]-2,3-difluoro-4-propylbenzene?
1-[4-[[4-(4-but-3-enylcyclohexyl)cyclohexyl]methoxy]phenyl]-2,3-difluoro-4-propylbenzene has a molecular weight of 480.68 g/mol, XLogP of 9.54, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-(4-but-3-enylcyclohexyl)cyclohexyl]methoxy]phenyl]-2,3-difluoro-4-propylbenzene is sourced from PubChem (CID 154607199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).