[4-(4-methylphenyl)phenyl] (E)-3-(2-propoxyphenyl)prop-2-enoate

C25H24O3 — CID 19207703

IUPAC[4-(4-methylphenyl)phenyl] (E)-3-(2-propoxyphenyl)prop-2-enoate
SMILESCCCOc1ccccc1/C=C/C(=O)Oc1ccc(-c2ccc(C)cc2)cc1
InChIInChI=1S/C25H24O3/c1-3-18-27-24-7-5-4-6-22(24)14-17-25(26)28-23-15-12-21(13-16-23)20-10-8-19(2)9-11-20/h4-17H,3,18H2,1-2H3/b17-14+
InChIKeyAYUIJUIGRJOESL-SAPNQHFASA-N
MW372.46 g/mol
LogP6.07
Rot. Bonds7

About [4-(4-methylphenyl)phenyl] (E)-3-(2-propoxyphenyl)prop-2-enoate

[4-(4-methylphenyl)phenyl] (E)-3-(2-propoxyphenyl)prop-2-enoate (PubChem CID 19207703) has the molecular formula C25H24O3 and a molecular weight of 372.46 g/mol. Its IUPAC name is [4-(4-methylphenyl)phenyl] (E)-3-(2-propoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name[4-(4-methylphenyl)phenyl] (E)-3-(2-propoxyphenyl)prop-2-enoate
PubChem CID19207703
Molecular FormulaC25H24O3
Molecular Weight372.46 g/mol
Exact Mass372.17
IUPAC Name[4-(4-methylphenyl)phenyl] (E)-3-(2-propoxyphenyl)prop-2-enoate
SMILESCCCOc1ccccc1/C=C/C(=O)Oc1ccc(-c2ccc(C)cc2)cc1
InChIInChI=1S/C25H24O3/c1-3-18-27-24-7-5-4-6-22(24)14-17-25(26)28-23-15-12-21(13-16-23)20-10-8-19(2)9-11-20/h4-17H,3,18H2,1-2H3/b17-14+
InChIKeyAYUIJUIGRJOESL-SAPNQHFASA-N
XLogP6.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.46
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-methylphenyl) (E)-3-(2-ethoxyphenyl)prop-2-enoate
CID 19207618
(4-bromophenyl) (E)-3-(2-propoxyphenyl)prop-2-enoate
CID 19207692
(4-acetylphenyl) (E)-3-(2-propoxyphenyl)prop-2-enoate
CID 19207715
(4-tert-butylphenyl) (E)-3-(2-propoxyphenyl)prop-2-enoate
CID 19207685
[4-[(2,4-dimethylphenyl)carbamoyl]phenyl] (E)-3-(2-propoxyphenyl)prop-2-enoate
CID 19207721
benzyl 4-[(E)-3-(2-propoxyphenyl)prop-2-enoyl]oxybenzoate
CID 19207710
ethyl (E)-3-(2-butoxyphenyl)prop-2-enoate
CID 102534694
propan-2-yl (E)-3-(2-propoxyphenyl)prop-2-enoate
CID 102534792
(4-acetylphenyl) (E)-3-(2-ethoxyphenyl)prop-2-enoate
CID 8764069
(E)-3-(2-propoxyphenyl)prop-2-enamide
CID 82040605
(4-methyl-2-oxochromen-7-yl) (E)-3-(2-propoxyphenyl)prop-2-enoate
CID 19207707
ethyl (E)-3-(2-heptoxyphenyl)prop-2-enoate
CID 69051271

Frequently Asked Questions

What is the IUPAC name of [4-(4-methylphenyl)phenyl] (E)-3-(2-propoxyphenyl)prop-2-enoate?
The IUPAC name of [4-(4-methylphenyl)phenyl] (E)-3-(2-propoxyphenyl)prop-2-enoate (CID 19207703) is [4-(4-methylphenyl)phenyl] (E)-3-(2-propoxyphenyl)prop-2-enoate.
What is the SMILES notation for [4-(4-methylphenyl)phenyl] (E)-3-(2-propoxyphenyl)prop-2-enoate?
The canonical SMILES for [4-(4-methylphenyl)phenyl] (E)-3-(2-propoxyphenyl)prop-2-enoate is CCCOc1ccccc1/C=C/C(=O)Oc1ccc(-c2ccc(C)cc2)cc1.
What is the InChIKey of [4-(4-methylphenyl)phenyl] (E)-3-(2-propoxyphenyl)prop-2-enoate?
The InChIKey is AYUIJUIGRJOESL-SAPNQHFASA-N. The full InChI is InChI=1S/C25H24O3/c1-3-18-27-24-7-5-4-6-22(24)14-17-25(26)28-23-15-12-21(13-16-23)20-10-8-19(2)9-11-20/h4-17H,3,18H2,1-2H3/b17-14+.
What are the key properties of [4-(4-methylphenyl)phenyl] (E)-3-(2-propoxyphenyl)prop-2-enoate?
[4-(4-methylphenyl)phenyl] (E)-3-(2-propoxyphenyl)prop-2-enoate has a molecular weight of 372.46 g/mol, XLogP of 6.07, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylphenyl)phenyl] (E)-3-(2-propoxyphenyl)prop-2-enoate is sourced from PubChem (CID 19207703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).