4-methoxy-1-[(2-methylpropan-2-yl)oxy]-2-prop-2-enylbenzene

C14H20O2 — CID 129010804

IUPAC4-methoxy-1-[(2-methylpropan-2-yl)oxy]-2-prop-2-enylbenzene
SMILESC=CCc1cc(OC)ccc1OC(C)(C)C
InChIInChI=1S/C14H20O2/c1-6-7-11-10-12(15-5)8-9-13(11)16-14(2,3)4/h6,8-10H,1,7H2,2-5H3
InChIKeyQKEPZMQFKDBTAO-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.60
Rot. Bonds4

About 4-methoxy-1-[(2-methylpropan-2-yl)oxy]-2-prop-2-enylbenzene

4-methoxy-1-[(2-methylpropan-2-yl)oxy]-2-prop-2-enylbenzene (PubChem CID 129010804) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 4-methoxy-1-[(2-methylpropan-2-yl)oxy]-2-prop-2-enylbenzene.

Molecular Properties

Compound Name4-methoxy-1-[(2-methylpropan-2-yl)oxy]-2-prop-2-enylbenzene
PubChem CID129010804
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name4-methoxy-1-[(2-methylpropan-2-yl)oxy]-2-prop-2-enylbenzene
SMILESC=CCc1cc(OC)ccc1OC(C)(C)C
InChIInChI=1S/C14H20O2/c1-6-7-11-10-12(15-5)8-9-13(11)16-14(2,3)4/h6,8-10H,1,7H2,2-5H3
InChIKeyQKEPZMQFKDBTAO-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
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-methoxy-4-(4-methoxy-3-prop-2-enylphenoxy)-2-prop-2-enylbenzene
CID 144777892
5-methoxy-2-prop-2-enylphenol
CID 6424515
1-methoxy-4-[2-(4-methoxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylbenzene
CID 19042683
2-methoxy-6-prop-2-enylnaphthalene
CID 55253268
2-(2-bromo-2-methylpropyl)-1,4-dimethoxybenzene
CID 82255120
1-[4-(4-methoxy-2-prop-2-enylphenoxy)butyl]pyrrolidin-1-ium
CID 2296721
1,4-diethoxy-2-prop-2-enylbenzene
CID 24770734
1-[3-(4-methoxy-2-prop-2-enylphenoxy)propyl]-4-methylpiperazine-1,4-diium
CID 2299606
2-(2,5-dimethoxyphenyl)hex-5-en-2-ol
CID 104656188
2,4-dimethoxy-1-prop-2-enylbenzene;pentan-3-one
CID 175249444
2-methoxy-6-[(2-methylpropan-2-yl)oxy]naphthalene
CID 155296690
2-[3-(4-methoxy-2-prop-2-enylphenoxy)propylsulfanyl]pyrimidine
CID 2948891

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-[(2-methylpropan-2-yl)oxy]-2-prop-2-enylbenzene?
The IUPAC name of 4-methoxy-1-[(2-methylpropan-2-yl)oxy]-2-prop-2-enylbenzene (CID 129010804) is 4-methoxy-1-[(2-methylpropan-2-yl)oxy]-2-prop-2-enylbenzene.
What is the SMILES notation for 4-methoxy-1-[(2-methylpropan-2-yl)oxy]-2-prop-2-enylbenzene?
The canonical SMILES for 4-methoxy-1-[(2-methylpropan-2-yl)oxy]-2-prop-2-enylbenzene is C=CCc1cc(OC)ccc1OC(C)(C)C.
What is the InChIKey of 4-methoxy-1-[(2-methylpropan-2-yl)oxy]-2-prop-2-enylbenzene?
The InChIKey is QKEPZMQFKDBTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-6-7-11-10-12(15-5)8-9-13(11)16-14(2,3)4/h6,8-10H,1,7H2,2-5H3.
What are the key properties of 4-methoxy-1-[(2-methylpropan-2-yl)oxy]-2-prop-2-enylbenzene?
4-methoxy-1-[(2-methylpropan-2-yl)oxy]-2-prop-2-enylbenzene has a molecular weight of 220.31 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-[(2-methylpropan-2-yl)oxy]-2-prop-2-enylbenzene is sourced from PubChem (CID 129010804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).