ethyl 2-phenylprop-2-enoate;2-methylprop-2-enoic acid

C15H18O4 — CID 70039514

IUPACethyl 2-phenylprop-2-enoate;2-methylprop-2-enoic acid
SMILESC=C(C(=O)OCC)c1ccccc1.C=C(C)C(=O)O
InChIInChI=1S/C11H12O2.C4H6O2/c1-3-13-11(12)9(2)10-7-5-4-6-8-10;1-3(2)4(5)6/h4-8H,2-3H2,1H3;1H2,2H3,(H,5,6)
InChIKeyKRWNKPMSQUKVEA-UHFFFAOYSA-N
MW262.30 g/mol
LogP2.91
Rot. Bonds4

About ethyl 2-phenylprop-2-enoate;2-methylprop-2-enoic acid

ethyl 2-phenylprop-2-enoate;2-methylprop-2-enoic acid (PubChem CID 70039514) has the molecular formula C15H18O4 and a molecular weight of 262.30 g/mol. Its IUPAC name is ethyl 2-phenylprop-2-enoate;2-methylprop-2-enoic acid.

Molecular Properties

Compound Nameethyl 2-phenylprop-2-enoate;2-methylprop-2-enoic acid
PubChem CID70039514
Molecular FormulaC15H18O4
Molecular Weight262.30 g/mol
Exact Mass262.12
IUPAC Nameethyl 2-phenylprop-2-enoate;2-methylprop-2-enoic acid
SMILESC=C(C(=O)OCC)c1ccccc1.C=C(C)C(=O)O
InChIInChI=1S/C11H12O2.C4H6O2/c1-3-13-11(12)9(2)10-7-5-4-6-8-10;1-3(2)4(5)6/h4-8H,2-3H2,1H3;1H2,2H3,(H,5,6)
InChIKeyKRWNKPMSQUKVEA-UHFFFAOYSA-N
XLogP2.91
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-benzylprop-2-enoic acid;ethyl acetate;bis(ethyl 2-phenylprop-2-enoate)
CID 174947612
hydroxymethyl 2-phenylprop-2-enoate
CID 174271126
ethyl 2-methylprop-2-enoate;phthalic acid
CID 66831473
ethoxyethane;methyl 2-phenylprop-2-enoate
CID 174753576
ethyl 2-oxo-2-phenylacetate
CID 15349
ethyl 2-oxo-2-[2-(1-phenylethenyl)hydrazinyl]acetate
CID 2274410
benzyl 2-phenylprop-2-enoate;ethyl 2-(4-methylphenyl)prop-2-enoate;ethyl 2-phenylprop-2-enoate;methane;methyl 2-phenylprop-2-enoate
CID 160594780
diethyl 2-(1-phenylethenyl)pent-2-enedioate
CID 71383381
ethyl 3-hydroxy-2-phenylbut-2-enoate
CID 138115443
ethyl 3-hydroxy-2-methyl-3-phenylprop-2-enoate
CID 174429046
chlorobenzene;ethyl 2-methylprop-2-enoate;hydrate
CID 158184145
ethoxybenzene;ethyl 2-methylprop-2-enoate
CID 175299667

Frequently Asked Questions

What is the IUPAC name of ethyl 2-phenylprop-2-enoate;2-methylprop-2-enoic acid?
The IUPAC name of ethyl 2-phenylprop-2-enoate;2-methylprop-2-enoic acid (CID 70039514) is ethyl 2-phenylprop-2-enoate;2-methylprop-2-enoic acid.
What is the SMILES notation for ethyl 2-phenylprop-2-enoate;2-methylprop-2-enoic acid?
The canonical SMILES for ethyl 2-phenylprop-2-enoate;2-methylprop-2-enoic acid is C=C(C(=O)OCC)c1ccccc1.C=C(C)C(=O)O.
What is the InChIKey of ethyl 2-phenylprop-2-enoate;2-methylprop-2-enoic acid?
The InChIKey is KRWNKPMSQUKVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2.C4H6O2/c1-3-13-11(12)9(2)10-7-5-4-6-8-10;1-3(2)4(5)6/h4-8H,2-3H2,1H3;1H2,2H3,(H,5,6).
What are the key properties of ethyl 2-phenylprop-2-enoate;2-methylprop-2-enoic acid?
ethyl 2-phenylprop-2-enoate;2-methylprop-2-enoic acid has a molecular weight of 262.30 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-phenylprop-2-enoate;2-methylprop-2-enoic acid is sourced from PubChem (CID 70039514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).