2-[5-cyclohexyl-2-[4-(2-hydroxyethoxy)phenyl]phenyl]ethyl 2-methylprop-2-enoate

C26H32O4 — CID 134200423

IUPAC2-[5-cyclohexyl-2-[4-(2-hydroxyethoxy)phenyl]phenyl]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCc1cc(C2CCCCC2)ccc1-c1ccc(OCCO)cc1
InChIInChI=1S/C26H32O4/c1-19(2)26(28)30-16-14-23-18-22(20-6-4-3-5-7-20)10-13-25(23)21-8-11-24(12-9-21)29-17-15-27/h8-13,18,20,27H,1,3-7,14-17H2,2H3
InChIKeyXQVCTBLRWQJSOD-UHFFFAOYSA-N
MW408.54 g/mol
LogP5.43
Rot. Bonds9

About 2-[5-cyclohexyl-2-[4-(2-hydroxyethoxy)phenyl]phenyl]ethyl 2-methylprop-2-enoate

2-[5-cyclohexyl-2-[4-(2-hydroxyethoxy)phenyl]phenyl]ethyl 2-methylprop-2-enoate (PubChem CID 134200423) has the molecular formula C26H32O4 and a molecular weight of 408.54 g/mol. Its IUPAC name is 2-[5-cyclohexyl-2-[4-(2-hydroxyethoxy)phenyl]phenyl]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[5-cyclohexyl-2-[4-(2-hydroxyethoxy)phenyl]phenyl]ethyl 2-methylprop-2-enoate
PubChem CID134200423
Molecular FormulaC26H32O4
Molecular Weight408.54 g/mol
Exact Mass408.23
IUPAC Name2-[5-cyclohexyl-2-[4-(2-hydroxyethoxy)phenyl]phenyl]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCc1cc(C2CCCCC2)ccc1-c1ccc(OCCO)cc1
InChIInChI=1S/C26H32O4/c1-19(2)26(28)30-16-14-23-18-22(20-6-4-3-5-7-20)10-13-25(23)21-8-11-24(12-9-21)29-17-15-27/h8-13,18,20,27H,1,3-7,14-17H2,2H3
InChIKeyXQVCTBLRWQJSOD-UHFFFAOYSA-N
XLogP5.43
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.54
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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
3-[5-(4-cyclohexyl-2-fluorophenyl)-2-(2-hydroxyethoxy)phenyl]propyl 2-methylprop-2-enoate
CID 134200643
2-[5-[4-(4-cyclohexylphenyl)-2-fluorophenyl]-2-(hydroxymethyl)phenyl]ethyl 2-methylprop-2-enoate
CID 134200912
2-[5-(2-hydroxyethoxy)-2-(4-methylcyclohexyl)phenyl]ethyl 2-methylprop-2-enoate
CID 134200465
3-[5-(4-cyclohexyl-2-fluorophenyl)-2-(2-hydroxyethyl)phenyl]propyl 2-methylprop-2-enoate
CID 134200718
2-[5-[2-ethyl-4-(4-pentylcyclohexyl)phenyl]-2-(2-hydroxyethoxy)phenyl]ethyl 2-methylprop-2-enoate
CID 134193415
[2-[4-(4-cyclohexylphenyl)-3-methylphenyl]-5-(2-hydroxyethyl)phenyl]methyl 2-methylprop-2-enoate
CID 134201033
[5-(2-hydroxyethoxy)-2-[4-(4-methylcyclohexyl)phenyl]phenyl] 2-methylprop-2-enoate
CID 145122769
[2-(4-cyclohexyl-2-ethylphenyl)-5-(3-hydroxypropyl)phenyl]methyl 2-methylprop-2-enoate
CID 134200902
[2-[4-(2-hydroxyethoxy)phenyl]-5-phenylphenyl]methyl 2-methylprop-2-enoate
CID 134200878
2-[5-(6-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(hydroxymethyl)phenyl]ethyl 2-methylprop-2-enoate
CID 134200663
3-[5-[4-(4-cyclohexylphenyl)-2-methylphenyl]-2-(hydroxymethyl)phenyl]propyl 2-methylprop-2-enoate
CID 134200914

Frequently Asked Questions

What is the IUPAC name of 2-[5-cyclohexyl-2-[4-(2-hydroxyethoxy)phenyl]phenyl]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[5-cyclohexyl-2-[4-(2-hydroxyethoxy)phenyl]phenyl]ethyl 2-methylprop-2-enoate (CID 134200423) is 2-[5-cyclohexyl-2-[4-(2-hydroxyethoxy)phenyl]phenyl]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[5-cyclohexyl-2-[4-(2-hydroxyethoxy)phenyl]phenyl]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[5-cyclohexyl-2-[4-(2-hydroxyethoxy)phenyl]phenyl]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCc1cc(C2CCCCC2)ccc1-c1ccc(OCCO)cc1.
What is the InChIKey of 2-[5-cyclohexyl-2-[4-(2-hydroxyethoxy)phenyl]phenyl]ethyl 2-methylprop-2-enoate?
The InChIKey is XQVCTBLRWQJSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32O4/c1-19(2)26(28)30-16-14-23-18-22(20-6-4-3-5-7-20)10-13-25(23)21-8-11-24(12-9-21)29-17-15-27/h8-13,18,20,27H,1,3-7,14-17H2,2H3.
What are the key properties of 2-[5-cyclohexyl-2-[4-(2-hydroxyethoxy)phenyl]phenyl]ethyl 2-methylprop-2-enoate?
2-[5-cyclohexyl-2-[4-(2-hydroxyethoxy)phenyl]phenyl]ethyl 2-methylprop-2-enoate has a molecular weight of 408.54 g/mol, XLogP of 5.43, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-cyclohexyl-2-[4-(2-hydroxyethoxy)phenyl]phenyl]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 134200423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).