2-methylprop-2-enoic acid;phenyl 2-methylprop-2-enoate

C14H16O4 — CID 69302463

IUPAC2-methylprop-2-enoic acid;phenyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)O.C=C(C)C(=O)Oc1ccccc1
InChIInChI=1S/C10H10O2.C4H6O2/c1-8(2)10(11)12-9-6-4-3-5-7-9;1-3(2)4(5)6/h3-7H,1H2,2H3;1H2,2H3,(H,5,6)
InChIKeyCWBLKOLBEWWCOP-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.82
Rot. Bonds3

About 2-methylprop-2-enoic acid;phenyl 2-methylprop-2-enoate

2-methylprop-2-enoic acid;phenyl 2-methylprop-2-enoate (PubChem CID 69302463) has the molecular formula C14H16O4 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-methylprop-2-enoic acid;phenyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-methylprop-2-enoic acid;phenyl 2-methylprop-2-enoate
PubChem CID69302463
Molecular FormulaC14H16O4
Molecular Weight248.28 g/mol
Exact Mass248.10
IUPAC Name2-methylprop-2-enoic acid;phenyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)O.C=C(C)C(=O)Oc1ccccc1
InChIInChI=1S/C10H10O2.C4H6O2/c1-8(2)10(11)12-9-6-4-3-5-7-9;1-3(2)4(5)6/h3-7H,1H2,2H3;1H2,2H3,(H,5,6)
InChIKeyCWBLKOLBEWWCOP-UHFFFAOYSA-N
XLogP2.82
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methylprop-2-enoic acid;phenyl 2-methylprop-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

phenyl 2-methylprop-2-enoate;phenyl prop-2-enoate
CID 20561455
phenyl 2-methylprop-2-enoate;styrene
CID 22227486
[4-(2-phenylethenyl)phenyl] 2-methylprop-2-enoate
CID 54432121
[4-(phenoxycarbonylamino)phenyl] 2-methylprop-2-enoate
CID 19076921
[4-[4-(2-methylprop-2-enoyloxy)phenoxy]phenyl]-diphenylsulfanium
CID 154009554
ethyl dihydrogen phosphate;phenyl 2-methylprop-2-enoate
CID 70555588
diphenyl oxalate;ethane
CID 162013592
[4-[3-[4-(2-methylprop-2-enoyloxy)phenoxy]phenoxy]phenyl] 2-methylprop-2-enoate
CID 59739254
[4-(4-phenylbuta-1,3-diynyl)phenyl] 2-methylprop-2-enoate
CID 150592906
phenyl 2-phenoxyprop-2-enoate
CID 141223374
[4-[4-(N-phenylanilino)phenoxy]phenyl] 2-methylprop-2-enoate
CID 58800606
[4-[4-[N-[4-[4-[N-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl] 2-methylprop-2-enoate
CID 58520075

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enoic acid;phenyl 2-methylprop-2-enoate?
The IUPAC name of 2-methylprop-2-enoic acid;phenyl 2-methylprop-2-enoate (CID 69302463) is 2-methylprop-2-enoic acid;phenyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-methylprop-2-enoic acid;phenyl 2-methylprop-2-enoate?
The canonical SMILES for 2-methylprop-2-enoic acid;phenyl 2-methylprop-2-enoate is C=C(C)C(=O)O.C=C(C)C(=O)Oc1ccccc1.
What is the InChIKey of 2-methylprop-2-enoic acid;phenyl 2-methylprop-2-enoate?
The InChIKey is CWBLKOLBEWWCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2.C4H6O2/c1-8(2)10(11)12-9-6-4-3-5-7-9;1-3(2)4(5)6/h3-7H,1H2,2H3;1H2,2H3,(H,5,6).
What are the key properties of 2-methylprop-2-enoic acid;phenyl 2-methylprop-2-enoate?
2-methylprop-2-enoic acid;phenyl 2-methylprop-2-enoate has a molecular weight of 248.28 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoic acid;phenyl 2-methylprop-2-enoate is sourced from PubChem (CID 69302463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).