prop-2-enoic acid;bis(1,2-xylene)

C19H24O2 — CID 175543794

IUPACprop-2-enoic acid;bis(1,2-xylene)
SMILESC=CC(=O)O.Cc1ccccc1C.Cc1ccccc1C
InChIInChI=1S/2C8H10.C3H4O2/c2*1-7-5-3-4-6-8(7)2;1-2-3(4)5/h2*3-6H,1-2H3;2H,1H2,(H,4,5)
InChIKeyRRKZDSURDUABFK-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.86
Rot. Bonds1

About prop-2-enoic acid;bis(1,2-xylene)

prop-2-enoic acid;bis(1,2-xylene) (PubChem CID 175543794) has the molecular formula C19H24O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is prop-2-enoic acid;bis(1,2-xylene).

Molecular Properties

Compound Nameprop-2-enoic acid;bis(1,2-xylene)
PubChem CID175543794
Molecular FormulaC19H24O2
Molecular Weight284.40 g/mol
Exact Mass284.18
IUPAC Nameprop-2-enoic acid;bis(1,2-xylene)
SMILESC=CC(=O)O.Cc1ccccc1C.Cc1ccccc1C
InChIInChI=1S/2C8H10.C3H4O2/c2*1-7-5-3-4-6-8(7)2;1-2-3(4)5/h2*3-6H,1-2H3;2H,1H2,(H,4,5)
InChIKeyRRKZDSURDUABFK-UHFFFAOYSA-N
XLogP4.86
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze prop-2-enoic acid;bis(1,2-xylene) 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

prop-2-enoic acid;1,4-xylene
CID 67822281
1-methyl-2-nitrobenzene;prop-2-enoic acid
CID 159952950
benzene;phenol;prop-2-enoic acid
CID 174875932
1-phenylethanone;prop-2-enoic acid
CID 67861534
phenol;bis(prop-2-enoic acid);hydrofluoride
CID 175753146
prop-2-enoic acid;styrene
CID 160851252
(4-methylphenyl)-phenylmethanone;prop-2-enoic acid
CID 175172073
benzene;1,2-xylene
CID 161464493
benzene-1,4-diol;methoxymethane;prop-2-enoic acid
CID 67882333
phenoxybenzene;prop-2-enoic acid
CID 66735010
N-phenylaniline;prop-2-enoic acid
CID 160759599
formic acid;1,2-xylene
CID 175948526

Frequently Asked Questions

What is the IUPAC name of prop-2-enoic acid;bis(1,2-xylene)?
The IUPAC name of prop-2-enoic acid;bis(1,2-xylene) (CID 175543794) is prop-2-enoic acid;bis(1,2-xylene).
What is the SMILES notation for prop-2-enoic acid;bis(1,2-xylene)?
The canonical SMILES for prop-2-enoic acid;bis(1,2-xylene) is C=CC(=O)O.Cc1ccccc1C.Cc1ccccc1C.
What is the InChIKey of prop-2-enoic acid;bis(1,2-xylene)?
The InChIKey is RRKZDSURDUABFK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H10.C3H4O2/c2*1-7-5-3-4-6-8(7)2;1-2-3(4)5/h2*3-6H,1-2H3;2H,1H2,(H,4,5).
What are the key properties of prop-2-enoic acid;bis(1,2-xylene)?
prop-2-enoic acid;bis(1,2-xylene) has a molecular weight of 284.40 g/mol, XLogP of 4.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enoic acid;bis(1,2-xylene) is sourced from PubChem (CID 175543794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).