2-[5-(2-ethylphenyl)-2-[4-(2-hydroxyethyl)phenyl]-3-(2-prop-2-enoyloxyethyl)phenyl]ethyl prop-2-enoate

C32H34O5 — CID 134200594

IUPAC2-[5-(2-ethylphenyl)-2-[4-(2-hydroxyethyl)phenyl]-3-(2-prop-2-enoyloxyethyl)phenyl]ethyl prop-2-enoate
SMILESC=CC(=O)OCCc1cc(-c2ccccc2CC)cc(CCOC(=O)C=C)c1-c1ccc(CCO)cc1
InChIInChI=1S/C32H34O5/c1-4-24-9-7-8-10-29(24)28-21-26(16-19-36-30(34)5-2)32(25-13-11-23(12-14-25)15-18-33)27(22-28)17-20-37-31(35)6-3/h5-14,21-22,33H,2-4,15-20H2,1H3
InChIKeyIZNMUPMARBTJBE-UHFFFAOYSA-N
MW498.62 g/mol
LogP5.66
Rot. Bonds13

About 2-[5-(2-ethylphenyl)-2-[4-(2-hydroxyethyl)phenyl]-3-(2-prop-2-enoyloxyethyl)phenyl]ethyl prop-2-enoate

2-[5-(2-ethylphenyl)-2-[4-(2-hydroxyethyl)phenyl]-3-(2-prop-2-enoyloxyethyl)phenyl]ethyl prop-2-enoate (PubChem CID 134200594) has the molecular formula C32H34O5 and a molecular weight of 498.62 g/mol. Its IUPAC name is 2-[5-(2-ethylphenyl)-2-[4-(2-hydroxyethyl)phenyl]-3-(2-prop-2-enoyloxyethyl)phenyl]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[5-(2-ethylphenyl)-2-[4-(2-hydroxyethyl)phenyl]-3-(2-prop-2-enoyloxyethyl)phenyl]ethyl prop-2-enoate
PubChem CID134200594
Molecular FormulaC32H34O5
Molecular Weight498.62 g/mol
Exact Mass498.24
IUPAC Name2-[5-(2-ethylphenyl)-2-[4-(2-hydroxyethyl)phenyl]-3-(2-prop-2-enoyloxyethyl)phenyl]ethyl prop-2-enoate
SMILESC=CC(=O)OCCc1cc(-c2ccccc2CC)cc(CCOC(=O)C=C)c1-c1ccc(CCO)cc1
InChIInChI=1S/C32H34O5/c1-4-24-9-7-8-10-29(24)28-21-26(16-19-36-30(34)5-2)32(25-13-11-23(12-14-25)15-18-33)27(22-28)17-20-37-31(35)6-3/h5-14,21-22,33H,2-4,15-20H2,1H3
InChIKeyIZNMUPMARBTJBE-UHFFFAOYSA-N
XLogP5.66
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.62
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-hydroxyethyl)-5-(4-propylphenyl)phenyl]ethyl prop-2-enoate
CID 134193082
3-(2-hydroxyethyl)-4-phenyl-5-(2-prop-2-enoyloxyethyl)phthalic acid
CID 175357471
2-[2-[2-[3-fluoro-4-[4-(3-hydroxypropyl)phenyl]phenyl]ethyl]phenyl]ethyl prop-2-enoate
CID 134198088
2-[5-(4-heptylphenyl)-2-[4-(2-hydroxyethoxy)phenyl]phenyl]ethyl prop-2-enoate
CID 134193675
2-[4-[4-(2-prop-2-enoyloxyethyl)phenyl]phenyl]ethyl prop-2-enoate
CID 58556788
2-(2-chlorophenyl)ethyl prop-2-enoate
CID 18316827
2-[5-[2-ethyl-4-[2-(4-methylphenyl)ethyl]phenyl]-2-[4-hydroxy-3-(hydroxymethyl)butoxy]phenyl]ethyl prop-2-enoate
CID 135141580
[2-[4-(3-hydroxypropyl)phenyl]-5-(4-pentylphenyl)phenyl]methyl prop-2-enoate
CID 134193671
2-(2-nonylphenyl)ethyl prop-2-enoate
CID 67822598
2-(4-benzylphenyl)ethyl prop-2-enoate
CID 18316835
2-[4-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]ethyl]phenyl]ethyl prop-2-enoate
CID 59399913
2-[5-[2-ethyl-4-[2-(4-pentylphenyl)ethyl]phenyl]-2-[4-hydroxy-3-(hydroxymethyl)butoxy]phenyl]ethyl prop-2-enoate
CID 135139312

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-ethylphenyl)-2-[4-(2-hydroxyethyl)phenyl]-3-(2-prop-2-enoyloxyethyl)phenyl]ethyl prop-2-enoate?
The IUPAC name of 2-[5-(2-ethylphenyl)-2-[4-(2-hydroxyethyl)phenyl]-3-(2-prop-2-enoyloxyethyl)phenyl]ethyl prop-2-enoate (CID 134200594) is 2-[5-(2-ethylphenyl)-2-[4-(2-hydroxyethyl)phenyl]-3-(2-prop-2-enoyloxyethyl)phenyl]ethyl prop-2-enoate.
What is the SMILES notation for 2-[5-(2-ethylphenyl)-2-[4-(2-hydroxyethyl)phenyl]-3-(2-prop-2-enoyloxyethyl)phenyl]ethyl prop-2-enoate?
The canonical SMILES for 2-[5-(2-ethylphenyl)-2-[4-(2-hydroxyethyl)phenyl]-3-(2-prop-2-enoyloxyethyl)phenyl]ethyl prop-2-enoate is C=CC(=O)OCCc1cc(-c2ccccc2CC)cc(CCOC(=O)C=C)c1-c1ccc(CCO)cc1.
What is the InChIKey of 2-[5-(2-ethylphenyl)-2-[4-(2-hydroxyethyl)phenyl]-3-(2-prop-2-enoyloxyethyl)phenyl]ethyl prop-2-enoate?
The InChIKey is IZNMUPMARBTJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34O5/c1-4-24-9-7-8-10-29(24)28-21-26(16-19-36-30(34)5-2)32(25-13-11-23(12-14-25)15-18-33)27(22-28)17-20-37-31(35)6-3/h5-14,21-22,33H,2-4,15-20H2,1H3.
What are the key properties of 2-[5-(2-ethylphenyl)-2-[4-(2-hydroxyethyl)phenyl]-3-(2-prop-2-enoyloxyethyl)phenyl]ethyl prop-2-enoate?
2-[5-(2-ethylphenyl)-2-[4-(2-hydroxyethyl)phenyl]-3-(2-prop-2-enoyloxyethyl)phenyl]ethyl prop-2-enoate has a molecular weight of 498.62 g/mol, XLogP of 5.66, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-ethylphenyl)-2-[4-(2-hydroxyethyl)phenyl]-3-(2-prop-2-enoyloxyethyl)phenyl]ethyl prop-2-enoate is sourced from PubChem (CID 134200594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).