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

C24H22O3 — CID 2444606

IUPAC[2-methyl-4-(4-methylphenyl)phenyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
SMILESCOc1ccccc1/C=C/C(=O)Oc1ccc(-c2ccc(C)cc2)cc1C
InChIInChI=1S/C24H22O3/c1-17-8-10-19(11-9-17)21-12-14-22(18(2)16-21)27-24(25)15-13-20-6-4-5-7-23(20)26-3/h4-16H,1-3H3/b15-13+
InChIKeySNPQEPKJCNNFMZ-FYWRMAATSA-N
MW358.44 g/mol
LogP5.60
Rot. Bonds5

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

[2-methyl-4-(4-methylphenyl)phenyl] (E)-3-(2-methoxyphenyl)prop-2-enoate (PubChem CID 2444606) has the molecular formula C24H22O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is [2-methyl-4-(4-methylphenyl)phenyl] (E)-3-(2-methoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name[2-methyl-4-(4-methylphenyl)phenyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
PubChem CID2444606
Molecular FormulaC24H22O3
Molecular Weight358.44 g/mol
Exact Mass358.16
IUPAC Name[2-methyl-4-(4-methylphenyl)phenyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
SMILESCOc1ccccc1/C=C/C(=O)Oc1ccc(-c2ccc(C)cc2)cc1C
InChIInChI=1S/C24H22O3/c1-17-8-10-19(11-9-17)21-12-14-22(18(2)16-21)27-24(25)15-13-20-6-4-5-7-23(20)26-3/h4-16H,1-3H3/b15-13+
InChIKeySNPQEPKJCNNFMZ-FYWRMAATSA-N
XLogP5.60
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.44
LogP ≤ 55.60
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

[2-methyl-4-(4-methylphenyl)phenyl] (E)-3-(2,4-dichlorophenyl)prop-2-enoate
CID 2445358
(2,6-dimethylphenyl) (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 734263
(4-tert-butyl-2-methylphenyl) (E)-3-(2-methoxy-5-methylphenyl)prop-2-enoate
CID 7669445
1-(2,5-dimethylphenyl)-3-(2-methoxyphenyl)prop-2-en-1-one
CID 3425337
(2-methylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate
CID 19177201
[4-(4-methylphenyl)phenyl] (E)-3-(2-propoxyphenyl)prop-2-enoate
CID 19207703
(4-chloro-2-methylphenyl) (E)-3-(2-chlorophenyl)prop-2-enoate
CID 19172642
(2-bromo-3-pyridinyl) (E)-3-(2-methoxy-5-methylphenyl)prop-2-enoate
CID 60581600
(E)-1-(2-methoxy-4-methylphenyl)-3-(2-methoxyphenyl)prop-2-en-1-one
CID 24561832
tert-butyl 3-(2-methoxyphenyl)prop-2-enoate
CID 72952089
methyl 3-(2-methoxy-5-methylphenyl)prop-2-enoate
CID 54032355
(4-methylphenyl) (E)-3-(2-ethoxyphenyl)prop-2-enoate
CID 19207618

Frequently Asked Questions

What is the IUPAC name of [2-methyl-4-(4-methylphenyl)phenyl] (E)-3-(2-methoxyphenyl)prop-2-enoate?
The IUPAC name of [2-methyl-4-(4-methylphenyl)phenyl] (E)-3-(2-methoxyphenyl)prop-2-enoate (CID 2444606) is [2-methyl-4-(4-methylphenyl)phenyl] (E)-3-(2-methoxyphenyl)prop-2-enoate.
What is the SMILES notation for [2-methyl-4-(4-methylphenyl)phenyl] (E)-3-(2-methoxyphenyl)prop-2-enoate?
The canonical SMILES for [2-methyl-4-(4-methylphenyl)phenyl] (E)-3-(2-methoxyphenyl)prop-2-enoate is COc1ccccc1/C=C/C(=O)Oc1ccc(-c2ccc(C)cc2)cc1C.
What is the InChIKey of [2-methyl-4-(4-methylphenyl)phenyl] (E)-3-(2-methoxyphenyl)prop-2-enoate?
The InChIKey is SNPQEPKJCNNFMZ-FYWRMAATSA-N. The full InChI is InChI=1S/C24H22O3/c1-17-8-10-19(11-9-17)21-12-14-22(18(2)16-21)27-24(25)15-13-20-6-4-5-7-23(20)26-3/h4-16H,1-3H3/b15-13+.
What are the key properties of [2-methyl-4-(4-methylphenyl)phenyl] (E)-3-(2-methoxyphenyl)prop-2-enoate?
[2-methyl-4-(4-methylphenyl)phenyl] (E)-3-(2-methoxyphenyl)prop-2-enoate has a molecular weight of 358.44 g/mol, XLogP of 5.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-4-(4-methylphenyl)phenyl] (E)-3-(2-methoxyphenyl)prop-2-enoate is sourced from PubChem (CID 2444606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).