ethane-1,2-diol;ethenoxyethene;1,2-xylene

C14H22O3 — CID 118954321

IUPACethane-1,2-diol;ethenoxyethene;1,2-xylene
SMILESC=COC=C.Cc1ccccc1C.OCCO
InChIInChI=1S/C8H10.C4H6O.C2H6O2/c1-7-5-3-4-6-8(7)2;1-3-5-4-2;3-1-2-4/h3-6H,1-2H3;3-4H,1-2H2;3-4H,1-2H2
InChIKeyNMLILSOWHQBTOE-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.56
Rot. Bonds3

About ethane-1,2-diol;ethenoxyethene;1,2-xylene

ethane-1,2-diol;ethenoxyethene;1,2-xylene (PubChem CID 118954321) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is ethane-1,2-diol;ethenoxyethene;1,2-xylene.

Molecular Properties

Compound Nameethane-1,2-diol;ethenoxyethene;1,2-xylene
PubChem CID118954321
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Nameethane-1,2-diol;ethenoxyethene;1,2-xylene
SMILESC=COC=C.Cc1ccccc1C.OCCO
InChIInChI=1S/C8H10.C4H6O.C2H6O2/c1-7-5-3-4-6-8(7)2;1-3-5-4-2;3-1-2-4/h3-6H,1-2H3;3-4H,1-2H2;3-4H,1-2H2
InChIKeyNMLILSOWHQBTOE-UHFFFAOYSA-N
XLogP2.56
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze ethane-1,2-diol;ethenoxyethene;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

ethenoxyethene;1-ethenyl-2-methylbenzene
CID 175558522
ethenoxyethene;[4-(hydroxymethyl)naphthalen-1-yl]methanol
CID 118354681
ethenoxyethene;phenylcarbamic acid
CID 159140981
1,2-xylene
CID 173422016
2-(2-hydroxyethylamino)ethanol;1,2-xylene
CID 174810256
prop-2-enoic acid;bis(1,2-xylene)
CID 175543794
potassium;1-ethenyl-2-methylbenzene;methane;2-(2-methylphenyl)ethanol;sulfane;1,2-xylene;hydroxide
CID 161475446
anisole;ethenoxyethene
CID 159837572
benzene;1,2-xylene
CID 161464493
1,2-xylene;zirconium
CID 174354618
vanadium;1,2-xylene
CID 143581691
1,2-xylene;tetrahydrobromide
CID 172843014

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;ethenoxyethene;1,2-xylene?
The IUPAC name of ethane-1,2-diol;ethenoxyethene;1,2-xylene (CID 118954321) is ethane-1,2-diol;ethenoxyethene;1,2-xylene.
What is the SMILES notation for ethane-1,2-diol;ethenoxyethene;1,2-xylene?
The canonical SMILES for ethane-1,2-diol;ethenoxyethene;1,2-xylene is C=COC=C.Cc1ccccc1C.OCCO.
What is the InChIKey of ethane-1,2-diol;ethenoxyethene;1,2-xylene?
The InChIKey is NMLILSOWHQBTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C4H6O.C2H6O2/c1-7-5-3-4-6-8(7)2;1-3-5-4-2;3-1-2-4/h3-6H,1-2H3;3-4H,1-2H2;3-4H,1-2H2.
What are the key properties of ethane-1,2-diol;ethenoxyethene;1,2-xylene?
ethane-1,2-diol;ethenoxyethene;1,2-xylene has a molecular weight of 238.33 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;ethenoxyethene;1,2-xylene is sourced from PubChem (CID 118954321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).