(4-phenylphenyl)methyl (E)-3-(4-prop-2-enoxyphenyl)prop-2-enoate

C25H22O3 — CID 7486348

IUPAC(4-phenylphenyl)methyl (E)-3-(4-prop-2-enoxyphenyl)prop-2-enoate
SMILESC=CCOc1ccc(/C=C/C(=O)OCc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C25H22O3/c1-2-18-27-24-15-10-20(11-16-24)12-17-25(26)28-19-21-8-13-23(14-9-21)22-6-4-3-5-7-22/h2-17H,1,18-19H2/b17-12+
InChIKeyKKSTWDMUWKLUHG-SFQUDFHCSA-N
MW370.45 g/mol
LogP5.68
Rot. Bonds8

About (4-phenylphenyl)methyl (E)-3-(4-prop-2-enoxyphenyl)prop-2-enoate

(4-phenylphenyl)methyl (E)-3-(4-prop-2-enoxyphenyl)prop-2-enoate (PubChem CID 7486348) has the molecular formula C25H22O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is (4-phenylphenyl)methyl (E)-3-(4-prop-2-enoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name(4-phenylphenyl)methyl (E)-3-(4-prop-2-enoxyphenyl)prop-2-enoate
PubChem CID7486348
Molecular FormulaC25H22O3
Molecular Weight370.45 g/mol
Exact Mass370.16
IUPAC Name(4-phenylphenyl)methyl (E)-3-(4-prop-2-enoxyphenyl)prop-2-enoate
SMILESC=CCOc1ccc(/C=C/C(=O)OCc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C25H22O3/c1-2-18-27-24-15-10-20(11-16-24)12-17-25(26)28-19-21-8-13-23(14-9-21)22-6-4-3-5-7-22/h2-17H,1,18-19H2/b17-12+
InChIKeyKKSTWDMUWKLUHG-SFQUDFHCSA-N
XLogP5.68
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.45
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-phenylphenyl)methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 7872590
2-chloroethyl (E)-3-(4-prop-2-enoxyphenyl)prop-2-enoate
CID 12636996
[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] (E)-3-(4-prop-2-enoxyphenyl)prop-2-enoate
CID 9107155
4-[4-[4-(4-prop-2-enoyloxybutoxy)phenyl]phenoxy]butyl (E)-3-phenylprop-2-enoate
CID 102145573
3-(4-phenylmethoxyphenyl)prop-2-enoyl 3-(4-phenylmethoxyphenyl)prop-2-enoate
CID 139936599
benzyl 3-[4-(2,2-diethoxyethoxy)phenyl]prop-2-enoate
CID 141278976
(4-chlorophenyl)methyl 3-[4-[(2-chlorophenyl)methoxy]phenyl]prop-2-enoate
CID 4050081
(E)-3-phenyl-1-(4-prop-2-enoxyphenyl)prop-2-en-1-one
CID 19608879
[4-[(E)-3-oxo-3-phenylmethoxyprop-1-enyl]phenyl] 4-ethoxybenzoate
CID 122226068
[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] (E)-3-(4-prop-2-enoxyphenyl)prop-2-enoate
CID 18208260
[4-[4-[(E)-3-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]-3-oxoprop-1-enyl]phenyl]phenyl]methyl 2-methylprop-2-enoate
CID 68642334
prop-2-enyl (E)-3-[4-(naphthalen-1-ylmethoxy)phenyl]prop-2-enoate
CID 91684592

Frequently Asked Questions

What is the IUPAC name of (4-phenylphenyl)methyl (E)-3-(4-prop-2-enoxyphenyl)prop-2-enoate?
The IUPAC name of (4-phenylphenyl)methyl (E)-3-(4-prop-2-enoxyphenyl)prop-2-enoate (CID 7486348) is (4-phenylphenyl)methyl (E)-3-(4-prop-2-enoxyphenyl)prop-2-enoate.
What is the SMILES notation for (4-phenylphenyl)methyl (E)-3-(4-prop-2-enoxyphenyl)prop-2-enoate?
The canonical SMILES for (4-phenylphenyl)methyl (E)-3-(4-prop-2-enoxyphenyl)prop-2-enoate is C=CCOc1ccc(/C=C/C(=O)OCc2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of (4-phenylphenyl)methyl (E)-3-(4-prop-2-enoxyphenyl)prop-2-enoate?
The InChIKey is KKSTWDMUWKLUHG-SFQUDFHCSA-N. The full InChI is InChI=1S/C25H22O3/c1-2-18-27-24-15-10-20(11-16-24)12-17-25(26)28-19-21-8-13-23(14-9-21)22-6-4-3-5-7-22/h2-17H,1,18-19H2/b17-12+.
What are the key properties of (4-phenylphenyl)methyl (E)-3-(4-prop-2-enoxyphenyl)prop-2-enoate?
(4-phenylphenyl)methyl (E)-3-(4-prop-2-enoxyphenyl)prop-2-enoate has a molecular weight of 370.45 g/mol, XLogP of 5.68, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylphenyl)methyl (E)-3-(4-prop-2-enoxyphenyl)prop-2-enoate is sourced from PubChem (CID 7486348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).