2-[2-(2-hydroxyethyl)-5-(4-propylphenyl)phenyl]ethyl prop-2-enoate

C22H26O3 — CID 134193082

IUPAC2-[2-(2-hydroxyethyl)-5-(4-propylphenyl)phenyl]ethyl prop-2-enoate
SMILESC=CC(=O)OCCc1cc(-c2ccc(CCC)cc2)ccc1CCO
InChIInChI=1S/C22H26O3/c1-3-5-17-6-8-18(9-7-17)20-11-10-19(12-14-23)21(16-20)13-15-25-22(24)4-2/h4,6-11,16,23H,2-3,5,12-15H2,1H3
InChIKeyCMILNIDIECKGCI-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.11
Rot. Bonds9

About 2-[2-(2-hydroxyethyl)-5-(4-propylphenyl)phenyl]ethyl prop-2-enoate

2-[2-(2-hydroxyethyl)-5-(4-propylphenyl)phenyl]ethyl prop-2-enoate (PubChem CID 134193082) has the molecular formula C22H26O3 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethyl)-5-(4-propylphenyl)phenyl]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[2-(2-hydroxyethyl)-5-(4-propylphenyl)phenyl]ethyl prop-2-enoate
PubChem CID134193082
Molecular FormulaC22H26O3
Molecular Weight338.45 g/mol
Exact Mass338.19
IUPAC Name2-[2-(2-hydroxyethyl)-5-(4-propylphenyl)phenyl]ethyl prop-2-enoate
SMILESC=CC(=O)OCCc1cc(-c2ccc(CCC)cc2)ccc1CCO
InChIInChI=1S/C22H26O3/c1-3-5-17-6-8-18(9-7-17)20-11-10-19(12-14-23)21(16-20)13-15-25-22(24)4-2/h4,6-11,16,23H,2-3,5,12-15H2,1H3
InChIKeyCMILNIDIECKGCI-UHFFFAOYSA-N
XLogP4.11
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(4-methylcyclohexyl)phenyl]phenyl]ethyl prop-2-enoate
CID 145122016
2-[4-[4-(2-prop-2-enoyloxyethyl)phenyl]phenyl]ethyl prop-2-enoate
CID 58556788
2-[3-(hydroxymethyl)-7-(4-pentylphenyl)naphthalen-2-yl]ethyl prop-2-enoate
CID 134193101
2-[5-(4-heptylphenyl)-2-[4-(2-hydroxyethoxy)phenyl]phenyl]ethyl prop-2-enoate
CID 134193675
2-[2-(3-hydroxypropyl)-5-[4-(4-methylcyclohexyl)phenyl]phenyl]ethyl prop-2-enoate
CID 145121993
2-[5-(2-ethylphenyl)-2-[4-(2-hydroxyethyl)phenyl]-3-(2-prop-2-enoyloxyethyl)phenyl]ethyl prop-2-enoate
CID 134200594
[2-[2-[4-(hydroxymethyl)phenyl]ethyl]-5-(4-methylphenyl)phenyl]methyl prop-2-enoate
CID 145121937
3-[2-(3-hydroxypropyl)-5-(4-propylphenyl)phenyl]propyl 2-methylprop-2-enoate
CID 134193029
[4-(2-hydroxyethyl)-3-(prop-2-enoyloxymethyl)phenyl] 4-propylbenzoate
CID 134193091
[2-[4-(3-hydroxypropyl)phenyl]-5-(4-pentylphenyl)phenyl]methyl prop-2-enoate
CID 134193671
[5-[2-ethyl-4-(4-pentylphenyl)phenyl]-2-(3-hydroxypropyl)phenyl]methyl prop-2-enoate
CID 134193508
[2-[2-[4-(hydroxymethyl)phenyl]ethyl]-5-phenylphenyl]methyl prop-2-enoate
CID 134200547

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethyl)-5-(4-propylphenyl)phenyl]ethyl prop-2-enoate?
The IUPAC name of 2-[2-(2-hydroxyethyl)-5-(4-propylphenyl)phenyl]ethyl prop-2-enoate (CID 134193082) is 2-[2-(2-hydroxyethyl)-5-(4-propylphenyl)phenyl]ethyl prop-2-enoate.
What is the SMILES notation for 2-[2-(2-hydroxyethyl)-5-(4-propylphenyl)phenyl]ethyl prop-2-enoate?
The canonical SMILES for 2-[2-(2-hydroxyethyl)-5-(4-propylphenyl)phenyl]ethyl prop-2-enoate is C=CC(=O)OCCc1cc(-c2ccc(CCC)cc2)ccc1CCO.
What is the InChIKey of 2-[2-(2-hydroxyethyl)-5-(4-propylphenyl)phenyl]ethyl prop-2-enoate?
The InChIKey is CMILNIDIECKGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O3/c1-3-5-17-6-8-18(9-7-17)20-11-10-19(12-14-23)21(16-20)13-15-25-22(24)4-2/h4,6-11,16,23H,2-3,5,12-15H2,1H3.
What are the key properties of 2-[2-(2-hydroxyethyl)-5-(4-propylphenyl)phenyl]ethyl prop-2-enoate?
2-[2-(2-hydroxyethyl)-5-(4-propylphenyl)phenyl]ethyl prop-2-enoate has a molecular weight of 338.45 g/mol, XLogP of 4.11, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethyl)-5-(4-propylphenyl)phenyl]ethyl prop-2-enoate is sourced from PubChem (CID 134193082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).