3-[[4-(3-ethyl-4-pentylphenyl)cyclohexyl]methyl]-5-methoxypentan-1-ol

C26H44O2 — CID 138529425

IUPAC3-[[4-(3-ethyl-4-pentylphenyl)cyclohexyl]methyl]-5-methoxypentan-1-ol
SMILESCCCCCc1ccc(C2CCC(CC(CCO)CCOC)CC2)cc1CC
InChIInChI=1S/C26H44O2/c1-4-6-7-8-24-13-14-26(20-23(24)5-2)25-11-9-21(10-12-25)19-22(15-17-27)16-18-28-3/h13-14,20-22,25,27H,4-12,15-19H2,1-3H3
InChIKeyGMDSPIWMWIFMKR-UHFFFAOYSA-N
MW388.64 g/mol
LogP6.68
Rot. Bonds13

About 3-[[4-(3-ethyl-4-pentylphenyl)cyclohexyl]methyl]-5-methoxypentan-1-ol

3-[[4-(3-ethyl-4-pentylphenyl)cyclohexyl]methyl]-5-methoxypentan-1-ol (PubChem CID 138529425) has the molecular formula C26H44O2 and a molecular weight of 388.64 g/mol. Its IUPAC name is 3-[[4-(3-ethyl-4-pentylphenyl)cyclohexyl]methyl]-5-methoxypentan-1-ol.

Molecular Properties

Compound Name3-[[4-(3-ethyl-4-pentylphenyl)cyclohexyl]methyl]-5-methoxypentan-1-ol
PubChem CID138529425
Molecular FormulaC26H44O2
Molecular Weight388.64 g/mol
Exact Mass388.33
IUPAC Name3-[[4-(3-ethyl-4-pentylphenyl)cyclohexyl]methyl]-5-methoxypentan-1-ol
SMILESCCCCCc1ccc(C2CCC(CC(CCO)CCOC)CC2)cc1CC
InChIInChI=1S/C26H44O2/c1-4-6-7-8-24-13-14-26(20-23(24)5-2)25-11-9-21(10-12-25)19-22(15-17-27)16-18-28-3/h13-14,20-22,25,27H,4-12,15-19H2,1-3H3
InChIKeyGMDSPIWMWIFMKR-UHFFFAOYSA-N
XLogP6.68
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.64
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-4-[4-[4-[4-[3-methoxy-2-(methoxymethyl)propyl]phenyl]phenyl]cyclohexyl]-1-pentylbenzene
CID 142282560
[5-hydroxy-3-[[4-(4-pentylphenyl)cyclohexyl]methyl]pentyl] 2-methylprop-2-enoate
CID 145412006
[3-[[4-(6-heptylnaphthalen-2-yl)cyclohexyl]methyl]-5-hydroxypentyl] 2-methylprop-2-enoate
CID 134246647
[4-[4-(3-ethyl-4-pentylphenyl)cyclohexyl]-2-(hydroxymethyl)butyl] 2-methylprop-2-enoate
CID 145411758
[2-[[4-[4-[4-(3-ethyl-4-pentylphenyl)-3-fluorophenyl]-3-fluorophenyl]cyclohexyl]methyl]-3-hydroxypropyl] 2-methylprop-2-enoate
CID 134244814
[2-[[4-[3-ethyl-4-(3-methyl-4-pentylphenyl)phenyl]cyclohexyl]methyl]-4-[3-(hydroxymethyl)buta-1,3-dien-2-yloxy]butyl] 2-methylprop-2-enoate
CID 134245202
[2-[[4-[4-[3-ethyl-4-(4-pentylphenyl)phenyl]cyclohexyl]cyclohexyl]methyl]-3-(3-hydroxypropoxy)propyl] 2-methylprop-2-enoate
CID 134244714
[4-[4-(3-ethyl-4-pentylphenyl)cyclohexyl]-2-(methoxymethyl)-2-methylbutyl] 2-methylprop-2-enoate;5-hydroxy-4-(hydroxymethyl)-2-methylidenepentanal
CID 145411691
2-(hydroxymethyl)prop-2-enal;5-methoxy-3-[[4-[4-[(E)-pent-3-enyl]phenyl]cyclohexyl]methyl]pentan-1-ol;2-methylprop-2-enal
CID 142281276
3-[5-[2-ethyl-4-(4-pentylcyclohexyl)phenyl]-2-[4-hydroxy-3-(hydroxymethyl)butyl]phenyl]propyl 2-methylprop-2-enoate
CID 134193477
[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-[[4-[4-[4-(3-ethyl-4-pentylphenyl)-2-fluorophenyl]cyclohexyl]cyclohexyl]methyl]-3-hydroxypropyl] formate
CID 145411572

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(3-ethyl-4-pentylphenyl)cyclohexyl]methyl]-5-methoxypentan-1-ol?
The IUPAC name of 3-[[4-(3-ethyl-4-pentylphenyl)cyclohexyl]methyl]-5-methoxypentan-1-ol (CID 138529425) is 3-[[4-(3-ethyl-4-pentylphenyl)cyclohexyl]methyl]-5-methoxypentan-1-ol.
What is the SMILES notation for 3-[[4-(3-ethyl-4-pentylphenyl)cyclohexyl]methyl]-5-methoxypentan-1-ol?
The canonical SMILES for 3-[[4-(3-ethyl-4-pentylphenyl)cyclohexyl]methyl]-5-methoxypentan-1-ol is CCCCCc1ccc(C2CCC(CC(CCO)CCOC)CC2)cc1CC.
What is the InChIKey of 3-[[4-(3-ethyl-4-pentylphenyl)cyclohexyl]methyl]-5-methoxypentan-1-ol?
The InChIKey is GMDSPIWMWIFMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H44O2/c1-4-6-7-8-24-13-14-26(20-23(24)5-2)25-11-9-21(10-12-25)19-22(15-17-27)16-18-28-3/h13-14,20-22,25,27H,4-12,15-19H2,1-3H3.
What are the key properties of 3-[[4-(3-ethyl-4-pentylphenyl)cyclohexyl]methyl]-5-methoxypentan-1-ol?
3-[[4-(3-ethyl-4-pentylphenyl)cyclohexyl]methyl]-5-methoxypentan-1-ol has a molecular weight of 388.64 g/mol, XLogP of 6.68, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(3-ethyl-4-pentylphenyl)cyclohexyl]methyl]-5-methoxypentan-1-ol is sourced from PubChem (CID 138529425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).