1-(2-ethoxyethenyl)-3-[(2-methylpropan-2-yl)oxy]benzene

C14H20O2 — CID 150613508

IUPAC1-(2-ethoxyethenyl)-3-[(2-methylpropan-2-yl)oxy]benzene
SMILESCCOC=Cc1cccc(OC(C)(C)C)c1
InChIInChI=1S/C14H20O2/c1-5-15-10-9-12-7-6-8-13(11-12)16-14(2,3)4/h6-11H,5H2,1-4H3
InChIKeyIUKCJLILWIBHSJ-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.87
Rot. Bonds4

About 1-(2-ethoxyethenyl)-3-[(2-methylpropan-2-yl)oxy]benzene

1-(2-ethoxyethenyl)-3-[(2-methylpropan-2-yl)oxy]benzene (PubChem CID 150613508) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 1-(2-ethoxyethenyl)-3-[(2-methylpropan-2-yl)oxy]benzene.

Molecular Properties

Compound Name1-(2-ethoxyethenyl)-3-[(2-methylpropan-2-yl)oxy]benzene
PubChem CID150613508
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name1-(2-ethoxyethenyl)-3-[(2-methylpropan-2-yl)oxy]benzene
SMILESCCOC=Cc1cccc(OC(C)(C)C)c1
InChIInChI=1S/C14H20O2/c1-5-15-10-9-12-7-6-8-13(11-12)16-14(2,3)4/h6-11H,5H2,1-4H3
InChIKeyIUKCJLILWIBHSJ-UHFFFAOYSA-N
XLogP3.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[3-[(E)-3-hydroxyprop-1-enyl]phenoxy]-2-methylpropanoate
CID 143092770
1-[(Z)-prop-1-enyl]-3-(trifluoromethoxy)benzene
CID 89117521
(2-methylpropan-2-yl)oxybenzene;propane
CID 169265117
ethyl 3-[3-(trifluoromethoxy)phenyl]prop-2-enoate
CID 54080322
1-chloro-3-[(2-methylpropan-2-yl)oxy]benzene
CID 11298360
3-[(2-methylpropan-2-yl)oxy]aniline
CID 19389149
1-[3-[(2-methylpropan-2-yl)oxy]phenoxy]propan-1-amine
CID 67825712
1-(2-propan-2-yloxypropan-2-yloxy)-3-prop-1-enylbenzene
CID 67017554
1-but-2-enyl-3-[(2-methylpropan-2-yl)oxy]benzene
CID 54025707
1-[3-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-one
CID 58044331
(E)-3-(3-ethoxyphenyl)prop-2-en-1-ol
CID 11073969
1-(bromomethoxy)-3-[(E)-2-methoxyethenyl]benzene
CID 67669903

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethenyl)-3-[(2-methylpropan-2-yl)oxy]benzene?
The IUPAC name of 1-(2-ethoxyethenyl)-3-[(2-methylpropan-2-yl)oxy]benzene (CID 150613508) is 1-(2-ethoxyethenyl)-3-[(2-methylpropan-2-yl)oxy]benzene.
What is the SMILES notation for 1-(2-ethoxyethenyl)-3-[(2-methylpropan-2-yl)oxy]benzene?
The canonical SMILES for 1-(2-ethoxyethenyl)-3-[(2-methylpropan-2-yl)oxy]benzene is CCOC=Cc1cccc(OC(C)(C)C)c1.
What is the InChIKey of 1-(2-ethoxyethenyl)-3-[(2-methylpropan-2-yl)oxy]benzene?
The InChIKey is IUKCJLILWIBHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-5-15-10-9-12-7-6-8-13(11-12)16-14(2,3)4/h6-11H,5H2,1-4H3.
What are the key properties of 1-(2-ethoxyethenyl)-3-[(2-methylpropan-2-yl)oxy]benzene?
1-(2-ethoxyethenyl)-3-[(2-methylpropan-2-yl)oxy]benzene has a molecular weight of 220.31 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethenyl)-3-[(2-methylpropan-2-yl)oxy]benzene is sourced from PubChem (CID 150613508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).