ethyl 2-methyl-4-(2-phenylphenyl)buta-2,3-dienoate

C19H18O2 — CID 88812743

IUPACethyl 2-methyl-4-(2-phenylphenyl)buta-2,3-dienoate
SMILESCCOC(=O)C(C)=C=Cc1ccccc1-c1ccccc1
InChIInChI=1S/C19H18O2/c1-3-21-19(20)15(2)13-14-17-11-7-8-12-18(17)16-9-5-4-6-10-16/h4-12,14H,3H2,1-2H3
InChIKeyJUZGRSJNAJQSLR-UHFFFAOYSA-N
MW278.35 g/mol
LogP4.48
Rot. Bonds4

About ethyl 2-methyl-4-(2-phenylphenyl)buta-2,3-dienoate

ethyl 2-methyl-4-(2-phenylphenyl)buta-2,3-dienoate (PubChem CID 88812743) has the molecular formula C19H18O2 and a molecular weight of 278.35 g/mol. Its IUPAC name is ethyl 2-methyl-4-(2-phenylphenyl)buta-2,3-dienoate.

Molecular Properties

Compound Nameethyl 2-methyl-4-(2-phenylphenyl)buta-2,3-dienoate
PubChem CID88812743
Molecular FormulaC19H18O2
Molecular Weight278.35 g/mol
Exact Mass278.13
IUPAC Nameethyl 2-methyl-4-(2-phenylphenyl)buta-2,3-dienoate
SMILESCCOC(=O)C(C)=C=Cc1ccccc1-c1ccccc1
InChIInChI=1S/C19H18O2/c1-3-21-19(20)15(2)13-14-17-11-7-8-12-18(17)16-9-5-4-6-10-16/h4-12,14H,3H2,1-2H3
InChIKeyJUZGRSJNAJQSLR-UHFFFAOYSA-N
XLogP4.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-methyl-4-naphthalen-1-ylbuta-2,3-dienoate
CID 46210536
ethyl 4-(2,3-dimethoxyphenyl)-2-methylbuta-2,3-dienoate
CID 102073822
diethyl 2-[(E)-3-azulen-1-ylprop-2-enylidene]propanedioate
CID 132534724
ethyl 4-(4-fluorophenyl)-2-methylbuta-2,3-dienoate
CID 11481404
ethyl 2-(2-phenylphenyl)but-2-enoate
CID 141332737
ethyl 4-(4-methoxyphenyl)-2-methylbuta-2,3-dienoate
CID 11253262
ethyl 4-(3-methoxyphenyl)-2-methylbuta-2,3-dienoate
CID 117059022
ethyl 2-methyl-6-phenylbenzoate
CID 86249615
ethyl 2-oxo-2-phenylacetate
CID 15349
ethyl 3-hydroxy-2-methyl-3-phenylprop-2-enoate
CID 174429046
ethyl 3-hydroxy-2-phenylbut-2-enoate
CID 138115443
ethyl 2-phenylprop-2-enoate;2-methylprop-2-enoic acid
CID 70039514

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-4-(2-phenylphenyl)buta-2,3-dienoate?
The IUPAC name of ethyl 2-methyl-4-(2-phenylphenyl)buta-2,3-dienoate (CID 88812743) is ethyl 2-methyl-4-(2-phenylphenyl)buta-2,3-dienoate.
What is the SMILES notation for ethyl 2-methyl-4-(2-phenylphenyl)buta-2,3-dienoate?
The canonical SMILES for ethyl 2-methyl-4-(2-phenylphenyl)buta-2,3-dienoate is CCOC(=O)C(C)=C=Cc1ccccc1-c1ccccc1.
What is the InChIKey of ethyl 2-methyl-4-(2-phenylphenyl)buta-2,3-dienoate?
The InChIKey is JUZGRSJNAJQSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O2/c1-3-21-19(20)15(2)13-14-17-11-7-8-12-18(17)16-9-5-4-6-10-16/h4-12,14H,3H2,1-2H3.
What are the key properties of ethyl 2-methyl-4-(2-phenylphenyl)buta-2,3-dienoate?
ethyl 2-methyl-4-(2-phenylphenyl)buta-2,3-dienoate has a molecular weight of 278.35 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-4-(2-phenylphenyl)buta-2,3-dienoate is sourced from PubChem (CID 88812743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).