2-[2-(4-cyclohexylphenyl)-5-(2-hydroxyethyl)phenoxy]ethyl prop-2-enoate

C25H30O4 — CID 134200843

IUPAC2-[2-(4-cyclohexylphenyl)-5-(2-hydroxyethyl)phenoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOc1cc(CCO)ccc1-c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C25H30O4/c1-2-25(27)29-17-16-28-24-18-19(14-15-26)8-13-23(24)22-11-9-21(10-12-22)20-6-4-3-5-7-20/h2,8-13,18,20,26H,1,3-7,14-17H2
InChIKeyNDXYYBIEOONCGC-UHFFFAOYSA-N
MW394.51 g/mol
LogP5.04
Rot. Bonds9

About 2-[2-(4-cyclohexylphenyl)-5-(2-hydroxyethyl)phenoxy]ethyl prop-2-enoate

2-[2-(4-cyclohexylphenyl)-5-(2-hydroxyethyl)phenoxy]ethyl prop-2-enoate (PubChem CID 134200843) has the molecular formula C25H30O4 and a molecular weight of 394.51 g/mol. Its IUPAC name is 2-[2-(4-cyclohexylphenyl)-5-(2-hydroxyethyl)phenoxy]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[2-(4-cyclohexylphenyl)-5-(2-hydroxyethyl)phenoxy]ethyl prop-2-enoate
PubChem CID134200843
Molecular FormulaC25H30O4
Molecular Weight394.51 g/mol
Exact Mass394.21
IUPAC Name2-[2-(4-cyclohexylphenyl)-5-(2-hydroxyethyl)phenoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOc1cc(CCO)ccc1-c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C25H30O4/c1-2-25(27)29-17-16-28-24-18-19(14-15-26)8-13-23(24)22-11-9-21(10-12-22)20-6-4-3-5-7-20/h2,8-13,18,20,26H,1,3-7,14-17H2
InChIKeyNDXYYBIEOONCGC-UHFFFAOYSA-N
XLogP5.04
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.51
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[2-(4-cyclohexylphenyl)-5-(hydroxymethyl)phenyl] 2-methylprop-2-enoate
CID 134200413
[2-[4-(4-cyclohexylphenyl)-3-methylphenyl]-5-(2-hydroxyethyl)phenyl]methyl 2-methylprop-2-enoate
CID 134201033
2-[2-(3-hydroxypropyl)-5-[4-(oxan-2-yl)phenyl]phenoxy]ethyl prop-2-enoate
CID 134199553
2-[2-(2-hydroxyethoxy)phenoxy]ethyl prop-2-enoate
CID 147852586
2-[2-cyclohexyl-1,3-dioxo-7-(2-prop-2-enoyloxyethoxy)benzo[de]isoquinolin-6-yl]oxyethyl prop-2-enoate
CID 137492169
2-[2-(2-hydroxyethyl)-5-[4-(4-methylcyclohexyl)phenyl]phenyl]ethyl prop-2-enoate
CID 145122016
6-[4-[4-[3-methyl-4-(4-methylphenyl)phenyl]cyclohexyl]phenoxy]hexyl prop-2-enoate
CID 144623901
2-[2-[4-(3-hydroxypropyl)cyclohexyl]-5-(4-pentylcyclohexyl)phenoxy]ethyl prop-2-enoate
CID 134193678
[5-[2-(4-cyclohexylcyclohexyl)ethyl]-2-[4-(3-hydroxypropyl)phenyl]phenyl]methyl prop-2-enoate
CID 134201084
2-[2-(2-phenylphenoxy)ethoxy]ethyl prop-2-enoate
CID 23290048
2-[5-cyclohexyl-2-[4-[4-(2-hydroxyethoxy)phenyl]phenyl]-4-[2-(2-methylprop-2-enoyloxy)ethoxy]phenoxy]ethyl 2-methylprop-2-enoate
CID 134201044
2-[2-[2-[2-phenyl-4-[3-phenyl-4-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]phenyl]phenoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 139696115

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-cyclohexylphenyl)-5-(2-hydroxyethyl)phenoxy]ethyl prop-2-enoate?
The IUPAC name of 2-[2-(4-cyclohexylphenyl)-5-(2-hydroxyethyl)phenoxy]ethyl prop-2-enoate (CID 134200843) is 2-[2-(4-cyclohexylphenyl)-5-(2-hydroxyethyl)phenoxy]ethyl prop-2-enoate.
What is the SMILES notation for 2-[2-(4-cyclohexylphenyl)-5-(2-hydroxyethyl)phenoxy]ethyl prop-2-enoate?
The canonical SMILES for 2-[2-(4-cyclohexylphenyl)-5-(2-hydroxyethyl)phenoxy]ethyl prop-2-enoate is C=CC(=O)OCCOc1cc(CCO)ccc1-c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 2-[2-(4-cyclohexylphenyl)-5-(2-hydroxyethyl)phenoxy]ethyl prop-2-enoate?
The InChIKey is NDXYYBIEOONCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30O4/c1-2-25(27)29-17-16-28-24-18-19(14-15-26)8-13-23(24)22-11-9-21(10-12-22)20-6-4-3-5-7-20/h2,8-13,18,20,26H,1,3-7,14-17H2.
What are the key properties of 2-[2-(4-cyclohexylphenyl)-5-(2-hydroxyethyl)phenoxy]ethyl prop-2-enoate?
2-[2-(4-cyclohexylphenyl)-5-(2-hydroxyethyl)phenoxy]ethyl prop-2-enoate has a molecular weight of 394.51 g/mol, XLogP of 5.04, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-cyclohexylphenyl)-5-(2-hydroxyethyl)phenoxy]ethyl prop-2-enoate is sourced from PubChem (CID 134200843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).