4-ethoxy-2-methoxy-1-prop-2-enylbenzene

C12H16O2 — CID 24770498

IUPAC4-ethoxy-2-methoxy-1-prop-2-enylbenzene
SMILESC=CCc1ccc(OCC)cc1OC
InChIInChI=1S/C12H16O2/c1-4-6-10-7-8-11(14-5-2)9-12(10)13-3/h4,7-9H,1,5-6H2,2-3H3
InChIKeyGXECXKMSRACFBS-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.82
Rot. Bonds5

About 4-ethoxy-2-methoxy-1-prop-2-enylbenzene

4-ethoxy-2-methoxy-1-prop-2-enylbenzene (PubChem CID 24770498) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 4-ethoxy-2-methoxy-1-prop-2-enylbenzene.

Molecular Properties

Compound Name4-ethoxy-2-methoxy-1-prop-2-enylbenzene
PubChem CID24770498
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name4-ethoxy-2-methoxy-1-prop-2-enylbenzene
SMILESC=CCc1ccc(OCC)cc1OC
InChIInChI=1S/C12H16O2/c1-4-6-10-7-8-11(14-5-2)9-12(10)13-3/h4,7-9H,1,5-6H2,2-3H3
InChIKeyGXECXKMSRACFBS-UHFFFAOYSA-N
XLogP2.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,4-diethoxy-2-prop-2-enylbenzene
CID 24770734
2,4-dimethoxy-1-prop-2-enylbenzene;pentan-3-one
CID 175249444
4-ethoxy-1-prop-2-enoxy-2-prop-2-enylbenzene
CID 24770219
1-[3-(2,4-dimethoxyphenyl)propyl]-4-ethoxy-2-methoxybenzene
CID 139826457
4-butoxy-1-prop-2-enyl-2-propoxybenzene
CID 24770089
4-butoxy-2-prop-2-enoxy-1-prop-2-enylbenzene
CID 24770216
1,5-diethoxy-2-methoxy-4-prop-2-enylbenzene
CID 22295057
4-ethoxy-2-nitro-1-prop-2-enylbenzene
CID 155580614
3-(4-ethoxy-2-prop-2-enylphenoxy)propan-1-amine
CID 62598605
1-methoxy-4-(4-methoxy-3-prop-2-enylphenoxy)-2-prop-2-enylbenzene
CID 144777892
4-methoxy-2-phenylmethoxy-1-prop-2-enylbenzene
CID 68966556
4-(4-ethoxy-2-prop-2-enylphenoxy)pentan-2-one
CID 64697737

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-methoxy-1-prop-2-enylbenzene?
The IUPAC name of 4-ethoxy-2-methoxy-1-prop-2-enylbenzene (CID 24770498) is 4-ethoxy-2-methoxy-1-prop-2-enylbenzene.
What is the SMILES notation for 4-ethoxy-2-methoxy-1-prop-2-enylbenzene?
The canonical SMILES for 4-ethoxy-2-methoxy-1-prop-2-enylbenzene is C=CCc1ccc(OCC)cc1OC.
What is the InChIKey of 4-ethoxy-2-methoxy-1-prop-2-enylbenzene?
The InChIKey is GXECXKMSRACFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-4-6-10-7-8-11(14-5-2)9-12(10)13-3/h4,7-9H,1,5-6H2,2-3H3.
What are the key properties of 4-ethoxy-2-methoxy-1-prop-2-enylbenzene?
4-ethoxy-2-methoxy-1-prop-2-enylbenzene has a molecular weight of 192.26 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-methoxy-1-prop-2-enylbenzene is sourced from PubChem (CID 24770498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).