2-ethyl-4-[4-[4-[4-[3-methoxy-2-(methoxymethyl)propyl]phenyl]phenyl]cyclohexyl]-1-pentylbenzene

C37H50O2 — CID 142282560

IUPAC2-ethyl-4-[4-[4-[4-[3-methoxy-2-(methoxymethyl)propyl]phenyl]phenyl]cyclohexyl]-1-pentylbenzene
SMILESCCCCCc1ccc(C2CCC(c3ccc(-c4ccc(CC(COC)COC)cc4)cc3)CC2)cc1CC
InChIInChI=1S/C37H50O2/c1-5-7-8-9-31-22-23-37(25-30(31)6-2)36-20-18-35(19-21-36)34-16-14-33(15-17-34)32-12-10-28(11-13-32)24-29(26-38-3)27-39-4/h10-17,22-23,25,29,35-36H,5-9,18-21,24,26-27H2,1-4H3
InChIKeyAESSRPYDTRNFSV-UHFFFAOYSA-N
MW526.81 g/mol
LogP9.54
Rot. Bonds14

About 2-ethyl-4-[4-[4-[4-[3-methoxy-2-(methoxymethyl)propyl]phenyl]phenyl]cyclohexyl]-1-pentylbenzene

2-ethyl-4-[4-[4-[4-[3-methoxy-2-(methoxymethyl)propyl]phenyl]phenyl]cyclohexyl]-1-pentylbenzene (PubChem CID 142282560) has the molecular formula C37H50O2 and a molecular weight of 526.81 g/mol. Its IUPAC name is 2-ethyl-4-[4-[4-[4-[3-methoxy-2-(methoxymethyl)propyl]phenyl]phenyl]cyclohexyl]-1-pentylbenzene.

Molecular Properties

Compound Name2-ethyl-4-[4-[4-[4-[3-methoxy-2-(methoxymethyl)propyl]phenyl]phenyl]cyclohexyl]-1-pentylbenzene
PubChem CID142282560
Molecular FormulaC37H50O2
Molecular Weight526.81 g/mol
Exact Mass526.38
IUPAC Name2-ethyl-4-[4-[4-[4-[3-methoxy-2-(methoxymethyl)propyl]phenyl]phenyl]cyclohexyl]-1-pentylbenzene
SMILESCCCCCc1ccc(C2CCC(c3ccc(-c4ccc(CC(COC)COC)cc4)cc3)CC2)cc1CC
InChIInChI=1S/C37H50O2/c1-5-7-8-9-31-22-23-37(25-30(31)6-2)36-20-18-35(19-21-36)34-16-14-33(15-17-34)32-12-10-28(11-13-32)24-29(26-38-3)27-39-4/h10-17,22-23,25,29,35-36H,5-9,18-21,24,26-27H2,1-4H3
InChIKeyAESSRPYDTRNFSV-UHFFFAOYSA-N
XLogP9.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.81
LogP ≤ 59.54
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

3-[[4-(3-ethyl-4-pentylphenyl)cyclohexyl]methyl]-5-methoxypentan-1-ol
CID 138529425
[2-[[2-ethyl-4-[4-[4-(3-ethyl-4-pentylphenyl)phenyl]cyclohexyl]cyclohexyl]methyl]-3-methoxypropyl] 2-methylprop-2-enoate
CID 145411414
[4-[4-(3-ethyl-4-pentylphenyl)cyclohexyl]-2-(hydroxymethyl)butyl] 2-methylprop-2-enoate
CID 145411758
2-(methoxymethyl)-5-[4-[4-(4-pentylphenyl)cyclohexyl]cyclohexyl]pentan-1-ol
CID 142282850
[2-[4-[4-[4-[2-(3-ethyl-4-pentylphenyl)ethyl]phenyl]cyclohexyl]cyclohexyl]-3-[2-(hydroxymethyl)prop-2-enoyloxy]propyl] 2-(hydroxymethyl)prop-2-enoate
CID 134245651
1-(4-fluorocyclohexyl)-4-(4-pentylphenyl)benzene
CID 22123952
[3-[4-[2-[4-[4-(3-ethyl-4-hexylphenyl)phenyl]cyclohexyl]ethyl]cyclohexyl]-4-(2-methylprop-2-enoyloxy)butyl] 2-(hydroxymethyl)prop-2-enoate;[3-[4-[2-[4-[4-(3-ethyl-4-pentylphenyl)cyclohexyl]phenyl]ethyl]cyclohexyl]-4-(2-methylprop-2-enoyloxy)butyl] 2-(hydroxymethyl)prop-2-enoate;[2-(2-methylprop-2-enoyloxymethyl)-3-[4-[4-[2-[4-(4-pentylphenyl)cyclohexyl]ethyl]cyclohexyl]cyclohexyl]propyl] 2-(hydroxymethyl)prop-2-enoate;[2-(2-methylprop-2-enoyloxymethyl)-3-[4-[4-[2-[4-(4-pentylphenyl)phenyl]ethyl]cyclohexyl]cyclohexyl]propyl] 2-(hydroxymethyl)prop-2-enoate;[4-(2-methylprop-2-enoyloxy)-3-[4-[4-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]cyclohexyl]cyclohexyl]butyl] 2-(hydroxymethyl)prop-2-enoate
CID 159916287
2-[[2-ethyl-4-[4-(4-pentylphenyl)phenyl]cyclohexyl]methyl]-3-methoxypropan-1-ol;2-methylprop-2-enal
CID 142282835
1-pentyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 15606766
[2-[[4-[4-[4-(3-ethyl-4-pentylphenyl)-3-fluorophenyl]-3-fluorophenyl]cyclohexyl]methyl]-3-hydroxypropyl] 2-methylprop-2-enoate
CID 134244814
1-hexyl-4-[4-(4-nonylcyclohexyl)phenyl]benzene
CID 20539243
1-hexyl-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20539240

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[4-[4-[4-[3-methoxy-2-(methoxymethyl)propyl]phenyl]phenyl]cyclohexyl]-1-pentylbenzene?
The IUPAC name of 2-ethyl-4-[4-[4-[4-[3-methoxy-2-(methoxymethyl)propyl]phenyl]phenyl]cyclohexyl]-1-pentylbenzene (CID 142282560) is 2-ethyl-4-[4-[4-[4-[3-methoxy-2-(methoxymethyl)propyl]phenyl]phenyl]cyclohexyl]-1-pentylbenzene.
What is the SMILES notation for 2-ethyl-4-[4-[4-[4-[3-methoxy-2-(methoxymethyl)propyl]phenyl]phenyl]cyclohexyl]-1-pentylbenzene?
The canonical SMILES for 2-ethyl-4-[4-[4-[4-[3-methoxy-2-(methoxymethyl)propyl]phenyl]phenyl]cyclohexyl]-1-pentylbenzene is CCCCCc1ccc(C2CCC(c3ccc(-c4ccc(CC(COC)COC)cc4)cc3)CC2)cc1CC.
What is the InChIKey of 2-ethyl-4-[4-[4-[4-[3-methoxy-2-(methoxymethyl)propyl]phenyl]phenyl]cyclohexyl]-1-pentylbenzene?
The InChIKey is AESSRPYDTRNFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H50O2/c1-5-7-8-9-31-22-23-37(25-30(31)6-2)36-20-18-35(19-21-36)34-16-14-33(15-17-34)32-12-10-28(11-13-32)24-29(26-38-3)27-39-4/h10-17,22-23,25,29,35-36H,5-9,18-21,24,26-27H2,1-4H3.
What are the key properties of 2-ethyl-4-[4-[4-[4-[3-methoxy-2-(methoxymethyl)propyl]phenyl]phenyl]cyclohexyl]-1-pentylbenzene?
2-ethyl-4-[4-[4-[4-[3-methoxy-2-(methoxymethyl)propyl]phenyl]phenyl]cyclohexyl]-1-pentylbenzene has a molecular weight of 526.81 g/mol, XLogP of 9.54, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[4-[4-[4-[3-methoxy-2-(methoxymethyl)propyl]phenyl]phenyl]cyclohexyl]-1-pentylbenzene is sourced from PubChem (CID 142282560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).