2-ethenoxy-1,3-dimethoxybenzene

C10H12O3 — CID 66367387

IUPAC2-ethenoxy-1,3-dimethoxybenzene
SMILESC=COc1c(OC)cccc1OC
InChIInChI=1S/C10H12O3/c1-4-13-10-8(11-2)6-5-7-9(10)12-3/h4-7H,1H2,2-3H3
InChIKeyXNCIJSTXEXOFHF-UHFFFAOYSA-N
MW180.20 g/mol
LogP2.23
Rot. Bonds4

About 2-ethenoxy-1,3-dimethoxybenzene

2-ethenoxy-1,3-dimethoxybenzene (PubChem CID 66367387) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 2-ethenoxy-1,3-dimethoxybenzene.

Molecular Properties

Compound Name2-ethenoxy-1,3-dimethoxybenzene
PubChem CID66367387
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name2-ethenoxy-1,3-dimethoxybenzene
SMILESC=COc1c(OC)cccc1OC
InChIInChI=1S/C10H12O3/c1-4-13-10-8(11-2)6-5-7-9(10)12-3/h4-7H,1H2,2-3H3
InChIKeyXNCIJSTXEXOFHF-UHFFFAOYSA-N
XLogP2.23
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-ethenoxy-1,3-dimethoxybenzene 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

1,3-dimethoxy-2-[(Z)-prop-1-enoxy]benzene
CID 5352519
1,2,3-trimethoxybenzene;hydrofluoride
CID 174818666
1-methoxy-2,3-bis(prop-2-enoxy)benzene
CID 11160335
prop-2-enoyl chloride;1,2,3-trimethoxybenzene
CID 175437840
(5-methoxynaphthalen-1-yl) formate
CID 11447000
(1S)-1-(2,3-dimethoxyphenyl)prop-2-en-1-amine
CID 171218765
1-ethenyl-2-ethoxy-3-methoxybenzene
CID 11629687
1,3-dimethoxy-2-prop-2-enylbenzene
CID 3014232
2-(2,3-dimethoxyphenyl)-2-prop-2-enylpent-4-en-1-amine
CID 534065
1,2-dimethoxy-3-prop-2-ynylbenzene
CID 119082494
1-ethenoxy-2-fluoro-3-methylbenzene
CID 107657650
1,2-dichloro-3-(2,6-dimethoxyphenoxy)benzene
CID 173291827

Frequently Asked Questions

What is the IUPAC name of 2-ethenoxy-1,3-dimethoxybenzene?
The IUPAC name of 2-ethenoxy-1,3-dimethoxybenzene (CID 66367387) is 2-ethenoxy-1,3-dimethoxybenzene.
What is the SMILES notation for 2-ethenoxy-1,3-dimethoxybenzene?
The canonical SMILES for 2-ethenoxy-1,3-dimethoxybenzene is C=COc1c(OC)cccc1OC.
What is the InChIKey of 2-ethenoxy-1,3-dimethoxybenzene?
The InChIKey is XNCIJSTXEXOFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-4-13-10-8(11-2)6-5-7-9(10)12-3/h4-7H,1H2,2-3H3.
What are the key properties of 2-ethenoxy-1,3-dimethoxybenzene?
2-ethenoxy-1,3-dimethoxybenzene has a molecular weight of 180.20 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenoxy-1,3-dimethoxybenzene is sourced from PubChem (CID 66367387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).