prop-2-enoic acid;1,4-xylene

C11H14O2 — CID 67822281

IUPACprop-2-enoic acid;1,4-xylene
SMILESC=CC(=O)O.Cc1ccc(C)cc1
InChIInChI=1S/C8H10.C3H4O2/c1-7-3-5-8(2)6-4-7;1-2-3(4)5/h3-6H,1-2H3;2H,1H2,(H,4,5)
InChIKeyGRIUBEHPSZDQOO-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.56
Rot. Bonds1

About prop-2-enoic acid;1,4-xylene

prop-2-enoic acid;1,4-xylene (PubChem CID 67822281) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is prop-2-enoic acid;1,4-xylene.

Molecular Properties

Compound Nameprop-2-enoic acid;1,4-xylene
PubChem CID67822281
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Nameprop-2-enoic acid;1,4-xylene
SMILESC=CC(=O)O.Cc1ccc(C)cc1
InChIInChI=1S/C8H10.C3H4O2/c1-7-3-5-8(2)6-4-7;1-2-3(4)5/h3-6H,1-2H3;2H,1H2,(H,4,5)
InChIKeyGRIUBEHPSZDQOO-UHFFFAOYSA-N
XLogP2.56
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-propan-2-ylbenzene;prop-2-enoic acid
CID 159804080
(4-methylphenyl)-phenylmethanone;prop-2-enoic acid
CID 175172073
prop-2-enoic acid;bis(1,2-xylene)
CID 175543794
carbonic acid;1,4-xylene
CID 89415214
methanol;prop-2-enoic acid
CID 159043362
methane;2-methylbuta-1,3-diene;1,4-xylene
CID 145089492
prop-2-enoyl prop-2-enoate;toluene
CID 159749457
benzene-1,4-diol;methoxymethane;prop-2-enoic acid
CID 67882333
methanethiol;prop-2-enoic acid
CID 158379466
bis(prop-1-ene);prop-2-enoic acid
CID 118194844
lutetium;tris(prop-2-enoic acid)
CID 168865611
prop-2-enoic acid;hydrochloride
CID 22354205

Frequently Asked Questions

What is the IUPAC name of prop-2-enoic acid;1,4-xylene?
The IUPAC name of prop-2-enoic acid;1,4-xylene (CID 67822281) is prop-2-enoic acid;1,4-xylene.
What is the SMILES notation for prop-2-enoic acid;1,4-xylene?
The canonical SMILES for prop-2-enoic acid;1,4-xylene is C=CC(=O)O.Cc1ccc(C)cc1.
What is the InChIKey of prop-2-enoic acid;1,4-xylene?
The InChIKey is GRIUBEHPSZDQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C3H4O2/c1-7-3-5-8(2)6-4-7;1-2-3(4)5/h3-6H,1-2H3;2H,1H2,(H,4,5).
What are the key properties of prop-2-enoic acid;1,4-xylene?
prop-2-enoic acid;1,4-xylene has a molecular weight of 178.23 g/mol, XLogP of 2.56, 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;1,4-xylene is sourced from PubChem (CID 67822281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).