2-[4-[4-(2-prop-2-enoyloxyethyl)phenyl]phenyl]ethyl prop-2-enoate

C22H22O4 — CID 58556788

IUPAC2-[4-[4-(2-prop-2-enoyloxyethyl)phenyl]phenyl]ethyl prop-2-enoate
SMILESC=CC(=O)OCCc1ccc(-c2ccc(CCOC(=O)C=C)cc2)cc1
InChIInChI=1S/C22H22O4/c1-3-21(23)25-15-13-17-5-9-19(10-6-17)20-11-7-18(8-12-20)14-16-26-22(24)4-2/h3-12H,1-2,13-16H2
InChIKeyNXUUKDCKOFACRW-UHFFFAOYSA-N
MW350.41 g/mol
LogP3.90
Rot. Bonds9

About 2-[4-[4-(2-prop-2-enoyloxyethyl)phenyl]phenyl]ethyl prop-2-enoate

2-[4-[4-(2-prop-2-enoyloxyethyl)phenyl]phenyl]ethyl prop-2-enoate (PubChem CID 58556788) has the molecular formula C22H22O4 and a molecular weight of 350.41 g/mol. Its IUPAC name is 2-[4-[4-(2-prop-2-enoyloxyethyl)phenyl]phenyl]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[4-[4-(2-prop-2-enoyloxyethyl)phenyl]phenyl]ethyl prop-2-enoate
PubChem CID58556788
Molecular FormulaC22H22O4
Molecular Weight350.41 g/mol
Exact Mass350.15
IUPAC Name2-[4-[4-(2-prop-2-enoyloxyethyl)phenyl]phenyl]ethyl prop-2-enoate
SMILESC=CC(=O)OCCc1ccc(-c2ccc(CCOC(=O)C=C)cc2)cc1
InChIInChI=1S/C22H22O4/c1-3-21(23)25-15-13-17-5-9-19(10-6-17)20-11-7-18(8-12-20)14-16-26-22(24)4-2/h3-12H,1-2,13-16H2
InChIKeyNXUUKDCKOFACRW-UHFFFAOYSA-N
XLogP3.90
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-ethenylphenyl)ethyl prop-2-enoate
CID 163299720
2-[4-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]ethyl]phenyl]ethyl prop-2-enoate
CID 59399913
carbanide;2-(4-methanidylphenyl)ethyl prop-2-enoate;yttrium
CID 58731460
2-(4-benzylphenyl)ethyl prop-2-enoate
CID 18316835
4-(4-phenylphenyl)butyl prop-2-enoate
CID 171768287
2-(4-nitrophenyl)ethyl prop-2-enoate
CID 70496275
4-[4-(4-pyridin-4-ylphenyl)phenyl]butyl prop-2-enoate
CID 142376976
2-[4-[(E)-2-[4-(4-butoxyphenyl)phenyl]ethenyl]phenyl]ethyl prop-2-enoate
CID 130373833
2-[4-[N-(4-prop-2-enoyloxyphenyl)-4-[4-(N-(4-prop-2-enoyloxyphenyl)anilino)phenyl]anilino]phenyl]ethyl prop-2-enoate
CID 22089877
benzyl prop-2-enoate;2-phenylethyl prop-2-enoate
CID 159252010
2-[4-(diethylamino)phenyl]ethyl prop-2-enoate
CID 68773183
[4-[4-[[4-[4-(2-prop-2-enoyloxyethyl)phenyl]phenyl]methoxy]phenyl]phenyl] 2-methylprop-2-enoate
CID 155628430

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(2-prop-2-enoyloxyethyl)phenyl]phenyl]ethyl prop-2-enoate?
The IUPAC name of 2-[4-[4-(2-prop-2-enoyloxyethyl)phenyl]phenyl]ethyl prop-2-enoate (CID 58556788) is 2-[4-[4-(2-prop-2-enoyloxyethyl)phenyl]phenyl]ethyl prop-2-enoate.
What is the SMILES notation for 2-[4-[4-(2-prop-2-enoyloxyethyl)phenyl]phenyl]ethyl prop-2-enoate?
The canonical SMILES for 2-[4-[4-(2-prop-2-enoyloxyethyl)phenyl]phenyl]ethyl prop-2-enoate is C=CC(=O)OCCc1ccc(-c2ccc(CCOC(=O)C=C)cc2)cc1.
What is the InChIKey of 2-[4-[4-(2-prop-2-enoyloxyethyl)phenyl]phenyl]ethyl prop-2-enoate?
The InChIKey is NXUUKDCKOFACRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O4/c1-3-21(23)25-15-13-17-5-9-19(10-6-17)20-11-7-18(8-12-20)14-16-26-22(24)4-2/h3-12H,1-2,13-16H2.
What are the key properties of 2-[4-[4-(2-prop-2-enoyloxyethyl)phenyl]phenyl]ethyl prop-2-enoate?
2-[4-[4-(2-prop-2-enoyloxyethyl)phenyl]phenyl]ethyl prop-2-enoate has a molecular weight of 350.41 g/mol, XLogP of 3.90, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(2-prop-2-enoyloxyethyl)phenyl]phenyl]ethyl prop-2-enoate is sourced from PubChem (CID 58556788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).