1-(2-cyclohexylethyl)-4-(4-undecoxyphenyl)benzene

C31H46O — CID 173349817

IUPAC1-(2-cyclohexylethyl)-4-(4-undecoxyphenyl)benzene
SMILESCCCCCCCCCCCOc1ccc(-c2ccc(CCC3CCCCC3)cc2)cc1
InChIInChI=1S/C31H46O/c1-2-3-4-5-6-7-8-9-13-26-32-31-24-22-30(23-25-31)29-20-18-28(19-21-29)17-16-27-14-11-10-12-15-27/h18-25,27H,2-17,26H2,1H3
InChIKeyFFARLAGOFFGQBF-UHFFFAOYSA-N
MW434.71 g/mol
LogP9.78
Rot. Bonds15

About 1-(2-cyclohexylethyl)-4-(4-undecoxyphenyl)benzene

1-(2-cyclohexylethyl)-4-(4-undecoxyphenyl)benzene (PubChem CID 173349817) has the molecular formula C31H46O and a molecular weight of 434.71 g/mol. Its IUPAC name is 1-(2-cyclohexylethyl)-4-(4-undecoxyphenyl)benzene.

Molecular Properties

Compound Name1-(2-cyclohexylethyl)-4-(4-undecoxyphenyl)benzene
PubChem CID173349817
Molecular FormulaC31H46O
Molecular Weight434.71 g/mol
Exact Mass434.35
IUPAC Name1-(2-cyclohexylethyl)-4-(4-undecoxyphenyl)benzene
SMILESCCCCCCCCCCCOc1ccc(-c2ccc(CCC3CCCCC3)cc2)cc1
InChIInChI=1S/C31H46O/c1-2-3-4-5-6-7-8-9-13-26-32-31-24-22-30(23-25-31)29-20-18-28(19-21-29)17-16-27-14-11-10-12-15-27/h18-25,27H,2-17,26H2,1H3
InChIKeyFFARLAGOFFGQBF-UHFFFAOYSA-N
XLogP9.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.71
LogP ≤ 59.78
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

1-(2-cyclohexylethyl)-4-(4-heptoxyphenyl)benzene
CID 173349748
1-[3-(2-pentylcyclohexyl)propoxy]-4-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]benzene
CID 57027738
1-[4-(5-cyclohexylpentoxy)phenyl]-2,3-difluoro-4-(4-pentylphenyl)benzene
CID 121459288
2-chloro-4-[4-(2-cyclohexylethyl)phenyl]-1-hexoxybenzene
CID 173349932
1-butoxy-4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]benzene
CID 54140175
5-[4-(2-cyclohexylethyl)phenyl]-2-octoxybenzonitrile
CID 173349880
5-[4-[4-(6-cyclopentylhexoxy)phenyl]phenyl]-2-heptylpyrimidine
CID 19083592
2-[4-(7-cyclopentylheptoxy)phenyl]-5-nonylpyridine
CID 19083479
2-[4-(8-cyclopentyloctoxy)phenyl]-5-octylpyridine
CID 19083523
2-[4-(7-cyclopentylheptoxy)phenyl]-5-heptylpyridine
CID 19083555
1-[3-(4-nonylcyclohexyl)propoxy]-4-[4-[3-(4-nonylcyclohexyl)propoxy]phenyl]benzene
CID 19738837
5-[2-(4-butylcyclohexyl)ethyl]-2-(4-hexoxyphenyl)pyridine
CID 18609195

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylethyl)-4-(4-undecoxyphenyl)benzene?
The IUPAC name of 1-(2-cyclohexylethyl)-4-(4-undecoxyphenyl)benzene (CID 173349817) is 1-(2-cyclohexylethyl)-4-(4-undecoxyphenyl)benzene.
What is the SMILES notation for 1-(2-cyclohexylethyl)-4-(4-undecoxyphenyl)benzene?
The canonical SMILES for 1-(2-cyclohexylethyl)-4-(4-undecoxyphenyl)benzene is CCCCCCCCCCCOc1ccc(-c2ccc(CCC3CCCCC3)cc2)cc1.
What is the InChIKey of 1-(2-cyclohexylethyl)-4-(4-undecoxyphenyl)benzene?
The InChIKey is FFARLAGOFFGQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H46O/c1-2-3-4-5-6-7-8-9-13-26-32-31-24-22-30(23-25-31)29-20-18-28(19-21-29)17-16-27-14-11-10-12-15-27/h18-25,27H,2-17,26H2,1H3.
What are the key properties of 1-(2-cyclohexylethyl)-4-(4-undecoxyphenyl)benzene?
1-(2-cyclohexylethyl)-4-(4-undecoxyphenyl)benzene has a molecular weight of 434.71 g/mol, XLogP of 9.78, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylethyl)-4-(4-undecoxyphenyl)benzene is sourced from PubChem (CID 173349817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).