ethene;1-ethoxy-4-[(2-methylpropan-2-yl)oxy]benzene

C14H22O2 — CID 174706040

IUPACethene;1-ethoxy-4-[(2-methylpropan-2-yl)oxy]benzene
SMILESC=C.CCOc1ccc(OC(C)(C)C)cc1
InChIInChI=1S/C12H18O2.C2H4/c1-5-13-10-6-8-11(9-7-10)14-12(2,3)4;1-2/h6-9H,5H2,1-4H3;1-2H2
InChIKeyMMYUZUWHVRJZDD-UHFFFAOYSA-N
MW222.33 g/mol
LogP4.06
Rot. Bonds3

About ethene;1-ethoxy-4-[(2-methylpropan-2-yl)oxy]benzene

ethene;1-ethoxy-4-[(2-methylpropan-2-yl)oxy]benzene (PubChem CID 174706040) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is ethene;1-ethoxy-4-[(2-methylpropan-2-yl)oxy]benzene.

Molecular Properties

Compound Nameethene;1-ethoxy-4-[(2-methylpropan-2-yl)oxy]benzene
PubChem CID174706040
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Nameethene;1-ethoxy-4-[(2-methylpropan-2-yl)oxy]benzene
SMILESC=C.CCOc1ccc(OC(C)(C)C)cc1
InChIInChI=1S/C12H18O2.C2H4/c1-5-13-10-6-8-11(9-7-10)14-12(2,3)4;1-2/h6-9H,5H2,1-4H3;1-2H2
InChIKeyMMYUZUWHVRJZDD-UHFFFAOYSA-N
XLogP4.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 54.06
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

[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]oxyphenyl] 4-ethoxybenzoate
CID 170254641
1-(2,2-dimethylpropoxy)-4-ethoxybenzene
CID 170603637
ethane;1-ethyl-4-[(2-methylpropan-2-yl)oxy]benzene
CID 157281363
(2-methylpropan-2-yl)oxybenzene;propane
CID 169265117
1-[(2-methylpropan-2-yl)oxy]-4-propylbenzene
CID 19097569
1-ethoxy-4-(2,2,2-trichloro-1,1-difluoroethoxy)benzene
CID 19865481
4-ethoxy-N-[(E)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]benzenesulfonamide
CID 110516725
(4-ethoxyphenyl)-oxosulfanium
CID 174263309
4-[4-[(2-methylpropan-2-yl)oxy]phenoxy]butan-2-one
CID 59531182
4-[(2-methylpropan-2-yl)oxy]phenol
CID 2773621
1-ethoxy-4-(fluoromethoxy)benzene
CID 21036002
ethene;1-ethoxy-4-phenylmethoxybenzene
CID 174705965

Frequently Asked Questions

What is the IUPAC name of ethene;1-ethoxy-4-[(2-methylpropan-2-yl)oxy]benzene?
The IUPAC name of ethene;1-ethoxy-4-[(2-methylpropan-2-yl)oxy]benzene (CID 174706040) is ethene;1-ethoxy-4-[(2-methylpropan-2-yl)oxy]benzene.
What is the SMILES notation for ethene;1-ethoxy-4-[(2-methylpropan-2-yl)oxy]benzene?
The canonical SMILES for ethene;1-ethoxy-4-[(2-methylpropan-2-yl)oxy]benzene is C=C.CCOc1ccc(OC(C)(C)C)cc1.
What is the InChIKey of ethene;1-ethoxy-4-[(2-methylpropan-2-yl)oxy]benzene?
The InChIKey is MMYUZUWHVRJZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2.C2H4/c1-5-13-10-6-8-11(9-7-10)14-12(2,3)4;1-2/h6-9H,5H2,1-4H3;1-2H2.
What are the key properties of ethene;1-ethoxy-4-[(2-methylpropan-2-yl)oxy]benzene?
ethene;1-ethoxy-4-[(2-methylpropan-2-yl)oxy]benzene has a molecular weight of 222.33 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;1-ethoxy-4-[(2-methylpropan-2-yl)oxy]benzene is sourced from PubChem (CID 174706040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).