3-[4-[4-(4-ethylcyclohexyl)-2-(2-methoxyethoxy)phenyl]cyclohexyl]propan-1-ol

C26H42O3 — CID 145122285

IUPAC3-[4-[4-(4-ethylcyclohexyl)-2-(2-methoxyethoxy)phenyl]cyclohexyl]propan-1-ol
SMILESCCC1CCC(c2ccc(C3CCC(CCCO)CC3)c(OCCOC)c2)CC1
InChIInChI=1S/C26H42O3/c1-3-20-6-10-22(11-7-20)24-14-15-25(26(19-24)29-18-17-28-2)23-12-8-21(9-13-23)5-4-16-27/h14-15,19-23,27H,3-13,16-18H2,1-2H3
InChIKeyQTAPEGOQBDPPJW-UHFFFAOYSA-N
MW402.62 g/mol
LogP6.44
Rot. Bonds10

About 3-[4-[4-(4-ethylcyclohexyl)-2-(2-methoxyethoxy)phenyl]cyclohexyl]propan-1-ol

3-[4-[4-(4-ethylcyclohexyl)-2-(2-methoxyethoxy)phenyl]cyclohexyl]propan-1-ol (PubChem CID 145122285) has the molecular formula C26H42O3 and a molecular weight of 402.62 g/mol. Its IUPAC name is 3-[4-[4-(4-ethylcyclohexyl)-2-(2-methoxyethoxy)phenyl]cyclohexyl]propan-1-ol.

Molecular Properties

Compound Name3-[4-[4-(4-ethylcyclohexyl)-2-(2-methoxyethoxy)phenyl]cyclohexyl]propan-1-ol
PubChem CID145122285
Molecular FormulaC26H42O3
Molecular Weight402.62 g/mol
Exact Mass402.31
IUPAC Name3-[4-[4-(4-ethylcyclohexyl)-2-(2-methoxyethoxy)phenyl]cyclohexyl]propan-1-ol
SMILESCCC1CCC(c2ccc(C3CCC(CCCO)CC3)c(OCCOC)c2)CC1
InChIInChI=1S/C26H42O3/c1-3-20-6-10-22(11-7-20)24-14-15-25(26(19-24)29-18-17-28-2)23-12-8-21(9-13-23)5-4-16-27/h14-15,19-23,27H,3-13,16-18H2,1-2H3
InChIKeyQTAPEGOQBDPPJW-UHFFFAOYSA-N
XLogP6.44
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.62
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[4-[4-(4-ethylcyclohexyl)-2-(2-methoxyethoxy)phenyl]cyclohexyl]propan-1-ol with MolForge

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Related Compounds

2-[2-[4-(3-hydroxypropyl)cyclohexyl]-5-(4-pentylcyclohexyl)phenoxy]ethyl prop-2-enoate
CID 134193678
2-(5-hydroxypentoxy)-5-(4-pentylcyclohexyl)benzaldehyde
CID 169019412
1-(2-methoxyethoxy)-4-(4-propylcyclohexyl)benzene
CID 21043309
2-[2-(2-hydroxyethoxy)-5-(4-propylcyclohexyl)phenoxy]ethyl 2-methylprop-2-enoate
CID 134193064
1-butoxy-4-(4-butylcyclohexyl)-2-fluorobenzene
CID 57074379
1-chloro-4-[4-[3-(4-ethylcyclohexyl)propyl]cyclohexyl]-2-fluorobenzene
CID 139725228
1-butoxy-2-methyl-4-(4-nonylcyclohexyl)benzene
CID 18646819
4-(4-ethylcyclohexyl)-2-fluoro-1-octoxybenzene
CID 57265159
2-[2-(3-hydroxypropyl)-3-[2-(2-methylprop-2-enoyloxy)ethoxy]-5-(4-pentylcyclohexyl)phenoxy]ethyl 2-methylprop-2-enoate
CID 134193181
4-(bromomethyl)-1-cyclopropyl-2-(3-methoxypropoxy)benzene
CID 68572146
6-[4-(4-propylcyclohexyl)phenoxy]hexan-1-ol
CID 67066834
1-(4-ethylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538252

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(4-ethylcyclohexyl)-2-(2-methoxyethoxy)phenyl]cyclohexyl]propan-1-ol?
The IUPAC name of 3-[4-[4-(4-ethylcyclohexyl)-2-(2-methoxyethoxy)phenyl]cyclohexyl]propan-1-ol (CID 145122285) is 3-[4-[4-(4-ethylcyclohexyl)-2-(2-methoxyethoxy)phenyl]cyclohexyl]propan-1-ol.
What is the SMILES notation for 3-[4-[4-(4-ethylcyclohexyl)-2-(2-methoxyethoxy)phenyl]cyclohexyl]propan-1-ol?
The canonical SMILES for 3-[4-[4-(4-ethylcyclohexyl)-2-(2-methoxyethoxy)phenyl]cyclohexyl]propan-1-ol is CCC1CCC(c2ccc(C3CCC(CCCO)CC3)c(OCCOC)c2)CC1.
What is the InChIKey of 3-[4-[4-(4-ethylcyclohexyl)-2-(2-methoxyethoxy)phenyl]cyclohexyl]propan-1-ol?
The InChIKey is QTAPEGOQBDPPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42O3/c1-3-20-6-10-22(11-7-20)24-14-15-25(26(19-24)29-18-17-28-2)23-12-8-21(9-13-23)5-4-16-27/h14-15,19-23,27H,3-13,16-18H2,1-2H3.
What are the key properties of 3-[4-[4-(4-ethylcyclohexyl)-2-(2-methoxyethoxy)phenyl]cyclohexyl]propan-1-ol?
3-[4-[4-(4-ethylcyclohexyl)-2-(2-methoxyethoxy)phenyl]cyclohexyl]propan-1-ol has a molecular weight of 402.62 g/mol, XLogP of 6.44, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(4-ethylcyclohexyl)-2-(2-methoxyethoxy)phenyl]cyclohexyl]propan-1-ol is sourced from PubChem (CID 145122285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).