1-(2-ethoxyphenyl)-2-methoxy-4-prop-2-enylbenzene

C18H20O2 — CID 170842008

IUPAC1-(2-ethoxyphenyl)-2-methoxy-4-prop-2-enylbenzene
SMILESC=CCc1ccc(-c2ccccc2OCC)c(OC)c1
InChIInChI=1S/C18H20O2/c1-4-8-14-11-12-16(18(13-14)19-3)15-9-6-7-10-17(15)20-5-2/h4,6-7,9-13H,1,5,8H2,2-3H3
InChIKeyHGFLYUBRWHOFEB-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.49
Rot. Bonds6

About 1-(2-ethoxyphenyl)-2-methoxy-4-prop-2-enylbenzene

1-(2-ethoxyphenyl)-2-methoxy-4-prop-2-enylbenzene (PubChem CID 170842008) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-2-methoxy-4-prop-2-enylbenzene.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-2-methoxy-4-prop-2-enylbenzene
PubChem CID170842008
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name1-(2-ethoxyphenyl)-2-methoxy-4-prop-2-enylbenzene
SMILESC=CCc1ccc(-c2ccccc2OCC)c(OC)c1
InChIInChI=1S/C18H20O2/c1-4-8-14-11-12-16(18(13-14)19-3)15-9-6-7-10-17(15)20-5-2/h4,6-7,9-13H,1,5,8H2,2-3H3
InChIKeyHGFLYUBRWHOFEB-UHFFFAOYSA-N
XLogP4.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.49
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

(2-methoxy-4-prop-2-enylphenyl) 2-ethoxybenzoate
CID 54364867
ethoxybenzene;2-methoxy-4-prop-2-enylphenol
CID 69392132
1-bromo-2-methoxy-4-prop-2-enylbenzene
CID 70188146
1,2-dimethoxy-4-prop-2-enylbenzene;ethane
CID 143927430
2-ethenyl-1-ethoxy-3-(2-ethoxyphenyl)benzene
CID 69455028
1-butoxy-2-methoxy-4-prop-2-enylbenzene
CID 3019586
1-[4-(2-bromophenoxy)butoxy]-2-methoxy-4-prop-2-enylbenzene
CID 2899492
ethane;2-methoxy-1-methyl-4-prop-2-enylbenzene
CID 142811862
2-methoxy-1-[6-(2-methoxy-4-prop-2-enylphenoxy)hexoxy]-4-prop-2-enylbenzene
CID 19906474
2-methoxy-1-pentoxy-4-prop-2-enylbenzene
CID 3024287
potassium;hydride;2-methoxy-4-prop-2-enyl-1-propoxybenzene
CID 175484509
2-methoxy-4-prop-2-enylphenol;hydroiodide
CID 172782314

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-2-methoxy-4-prop-2-enylbenzene?
The IUPAC name of 1-(2-ethoxyphenyl)-2-methoxy-4-prop-2-enylbenzene (CID 170842008) is 1-(2-ethoxyphenyl)-2-methoxy-4-prop-2-enylbenzene.
What is the SMILES notation for 1-(2-ethoxyphenyl)-2-methoxy-4-prop-2-enylbenzene?
The canonical SMILES for 1-(2-ethoxyphenyl)-2-methoxy-4-prop-2-enylbenzene is C=CCc1ccc(-c2ccccc2OCC)c(OC)c1.
What is the InChIKey of 1-(2-ethoxyphenyl)-2-methoxy-4-prop-2-enylbenzene?
The InChIKey is HGFLYUBRWHOFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-4-8-14-11-12-16(18(13-14)19-3)15-9-6-7-10-17(15)20-5-2/h4,6-7,9-13H,1,5,8H2,2-3H3.
What are the key properties of 1-(2-ethoxyphenyl)-2-methoxy-4-prop-2-enylbenzene?
1-(2-ethoxyphenyl)-2-methoxy-4-prop-2-enylbenzene has a molecular weight of 268.36 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-2-methoxy-4-prop-2-enylbenzene is sourced from PubChem (CID 170842008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).