[4-(2-oxoethyl)phenyl] prop-2-enoate

C11H10O3 — CID 141400952

IUPAC[4-(2-oxoethyl)phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccc(CC=O)cc1
InChIInChI=1S/C11H10O3/c1-2-11(13)14-10-5-3-9(4-6-10)7-8-12/h2-6,8H,1,7H2
InChIKeyYUBCXQZXQWROQN-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.52
Rot. Bonds4

About [4-(2-oxoethyl)phenyl] prop-2-enoate

[4-(2-oxoethyl)phenyl] prop-2-enoate (PubChem CID 141400952) has the molecular formula C11H10O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is [4-(2-oxoethyl)phenyl] prop-2-enoate.

Molecular Properties

Compound Name[4-(2-oxoethyl)phenyl] prop-2-enoate
PubChem CID141400952
Molecular FormulaC11H10O3
Molecular Weight190.20 g/mol
Exact Mass190.06
IUPAC Name[4-(2-oxoethyl)phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccc(CC=O)cc1
InChIInChI=1S/C11H10O3/c1-2-11(13)14-10-5-3-9(4-6-10)7-8-12/h2-6,8H,1,7H2
InChIKeyYUBCXQZXQWROQN-UHFFFAOYSA-N
XLogP1.52
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [4-(2-oxoethyl)phenyl] prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[2-[3,5-di(prop-2-enoyloxy)phenyl]ethyl]phenyl] prop-2-enoate
CID 126633239
[4-[2-[6-[2-(4-prop-2-enoyloxyphenyl)ethyl]naphthalen-2-yl]ethyl]phenyl] prop-2-enoate
CID 121370037
bis(4-prop-2-enylphenyl) (Z)-but-2-enedioate
CID 67944878
[4-[2-(4-propylphenyl)ethyl]phenyl] prop-2-enoate
CID 70189649
(4-butylphenyl) prop-2-enoate
CID 23635599
[4-[4-(2-oxobut-3-enyl)phenyl]phenyl] prop-2-enoate
CID 134168478
[4-[2-(4-prop-2-enoyloxyphenyl)ethyl]phenyl] but-2-enoate
CID 174951659
[4-[4-(4-prop-2-enoyloxyphenyl)sulfanylphenyl]sulfanylphenyl] prop-2-enoate
CID 59739086
[4-[bis(4-prop-2-enoyloxyphenyl)methyl]phenyl] prop-2-enoate
CID 90224723
methane;[4-[[4-[(4-prop-2-enoyloxyphenyl)methyl]phenyl]methyl]phenoxy]methyl prop-2-enoate
CID 157445975
[4-[(N-benzylanilino)methyl]phenyl] prop-2-enoate
CID 58984007
(4-phenylperoxyphenyl) prop-2-enoate
CID 163991970

Frequently Asked Questions

What is the IUPAC name of [4-(2-oxoethyl)phenyl] prop-2-enoate?
The IUPAC name of [4-(2-oxoethyl)phenyl] prop-2-enoate (CID 141400952) is [4-(2-oxoethyl)phenyl] prop-2-enoate.
What is the SMILES notation for [4-(2-oxoethyl)phenyl] prop-2-enoate?
The canonical SMILES for [4-(2-oxoethyl)phenyl] prop-2-enoate is C=CC(=O)Oc1ccc(CC=O)cc1.
What is the InChIKey of [4-(2-oxoethyl)phenyl] prop-2-enoate?
The InChIKey is YUBCXQZXQWROQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3/c1-2-11(13)14-10-5-3-9(4-6-10)7-8-12/h2-6,8H,1,7H2.
What are the key properties of [4-(2-oxoethyl)phenyl] prop-2-enoate?
[4-(2-oxoethyl)phenyl] prop-2-enoate has a molecular weight of 190.20 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-oxoethyl)phenyl] prop-2-enoate is sourced from PubChem (CID 141400952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).