2-[3-[(Z)-2-(2-methyl-5-prop-2-enoyloxyphenyl)ethenyl]phenyl]ethyl prop-2-enoate

C23H22O4 — CID 118579781

IUPAC2-[3-[(Z)-2-(2-methyl-5-prop-2-enoyloxyphenyl)ethenyl]phenyl]ethyl prop-2-enoate
SMILESC=CC(=O)OCCc1cccc(/C=C\c2cc(OC(=O)C=C)ccc2C)c1
InChIInChI=1S/C23H22O4/c1-4-22(24)26-14-13-19-8-6-7-18(15-19)10-11-20-16-21(12-9-17(20)3)27-23(25)5-2/h4-12,15-16H,1-2,13-14H2,3H3/b11-10-
InChIKeyDOXPPMCTNOWHRF-KHPPLWFESA-N
MW362.43 g/mol
LogP4.53
Rot. Bonds8

About 2-[3-[(Z)-2-(2-methyl-5-prop-2-enoyloxyphenyl)ethenyl]phenyl]ethyl prop-2-enoate

2-[3-[(Z)-2-(2-methyl-5-prop-2-enoyloxyphenyl)ethenyl]phenyl]ethyl prop-2-enoate (PubChem CID 118579781) has the molecular formula C23H22O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-[3-[(Z)-2-(2-methyl-5-prop-2-enoyloxyphenyl)ethenyl]phenyl]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[3-[(Z)-2-(2-methyl-5-prop-2-enoyloxyphenyl)ethenyl]phenyl]ethyl prop-2-enoate
PubChem CID118579781
Molecular FormulaC23H22O4
Molecular Weight362.43 g/mol
Exact Mass362.15
IUPAC Name2-[3-[(Z)-2-(2-methyl-5-prop-2-enoyloxyphenyl)ethenyl]phenyl]ethyl prop-2-enoate
SMILESC=CC(=O)OCCc1cccc(/C=C\c2cc(OC(=O)C=C)ccc2C)c1
InChIInChI=1S/C23H22O4/c1-4-22(24)26-14-13-19-8-6-7-18(15-19)10-11-20-16-21(12-9-17(20)3)27-23(25)5-2/h4-12,15-16H,1-2,13-14H2,3H3/b11-10-
InChIKeyDOXPPMCTNOWHRF-KHPPLWFESA-N
XLogP4.53
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[2-[4-[2-(2-fluoro-4-prop-2-enoyloxyphenyl)ethenyl]phenyl]ethenyl]phenoxy]ethyl prop-2-enoate
CID 123770109
[(E)-6-[3-[4-[4-(prop-2-enoyloxymethyl)phenyl]butyl]phenyl]hex-5-enyl] prop-2-enoate
CID 138663179
2-[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenoxy]ethyl prop-2-enoate;2-[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]ethyl prop-2-enoate;3-[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]propyl prop-2-enoate;2-[4-[N-(3,4-dimethylphenyl)-4-(2-prop-2-enoyloxyethyl)anilino]phenyl]ethyl prop-2-enoate;2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethyl prop-2-enoate;3-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]propyl prop-2-enoate;[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl] prop-2-enoate;[4-[2-[4-(N-phenylanilino)phenyl]ethyl]phenyl] prop-2-enoate
CID 158760784
2-[4-[(E)-2-[4-(4-butoxyphenyl)phenyl]ethenyl]phenyl]ethyl prop-2-enoate
CID 130373833
benzyl prop-2-enoate;2-phenylethyl prop-2-enoate
CID 159252010
2-(4-benzylphenyl)ethyl prop-2-enoate
CID 18316835
2-[4-[(E)-3-(2-fluoro-4-prop-2-enoyloxyphenyl)-1-hydroxyprop-2-enoxy]phenyl]ethyl prop-2-enoate
CID 138706886
2-[4-[3-[4-(1-hydroxy-2-methylprop-2-enoxy)phenyl]phenyl]phenyl]ethyl prop-2-enoate
CID 129059868
2-(2-hydroxybenzotriazol-5-yl)ethyl prop-2-enoate
CID 19078866
2-(4-ethenylphenyl)ethyl prop-2-enoate
CID 163299720
2-[4-[4-(2-prop-2-enoyloxyethyl)phenyl]phenyl]ethyl prop-2-enoate
CID 58556788
[4-(2-prop-2-enoyloxyethyl)phenyl] (E)-3-[2-fluoro-4-(4-prop-2-enoyloxyphenyl)phenyl]prop-2-enoate
CID 68642304

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(Z)-2-(2-methyl-5-prop-2-enoyloxyphenyl)ethenyl]phenyl]ethyl prop-2-enoate?
The IUPAC name of 2-[3-[(Z)-2-(2-methyl-5-prop-2-enoyloxyphenyl)ethenyl]phenyl]ethyl prop-2-enoate (CID 118579781) is 2-[3-[(Z)-2-(2-methyl-5-prop-2-enoyloxyphenyl)ethenyl]phenyl]ethyl prop-2-enoate.
What is the SMILES notation for 2-[3-[(Z)-2-(2-methyl-5-prop-2-enoyloxyphenyl)ethenyl]phenyl]ethyl prop-2-enoate?
The canonical SMILES for 2-[3-[(Z)-2-(2-methyl-5-prop-2-enoyloxyphenyl)ethenyl]phenyl]ethyl prop-2-enoate is C=CC(=O)OCCc1cccc(/C=C\c2cc(OC(=O)C=C)ccc2C)c1.
What is the InChIKey of 2-[3-[(Z)-2-(2-methyl-5-prop-2-enoyloxyphenyl)ethenyl]phenyl]ethyl prop-2-enoate?
The InChIKey is DOXPPMCTNOWHRF-KHPPLWFESA-N. The full InChI is InChI=1S/C23H22O4/c1-4-22(24)26-14-13-19-8-6-7-18(15-19)10-11-20-16-21(12-9-17(20)3)27-23(25)5-2/h4-12,15-16H,1-2,13-14H2,3H3/b11-10-.
What are the key properties of 2-[3-[(Z)-2-(2-methyl-5-prop-2-enoyloxyphenyl)ethenyl]phenyl]ethyl prop-2-enoate?
2-[3-[(Z)-2-(2-methyl-5-prop-2-enoyloxyphenyl)ethenyl]phenyl]ethyl prop-2-enoate has a molecular weight of 362.43 g/mol, XLogP of 4.53, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(Z)-2-(2-methyl-5-prop-2-enoyloxyphenyl)ethenyl]phenyl]ethyl prop-2-enoate is sourced from PubChem (CID 118579781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).