1-methoxy-4-[1-[(2-methylpropan-2-yl)oxy]ethenyl]benzene

C13H18O2 — CID 135056470

IUPAC1-methoxy-4-[1-[(2-methylpropan-2-yl)oxy]ethenyl]benzene
SMILESC=C(OC(C)(C)C)c1ccc(OC)cc1
InChIInChI=1S/C13H18O2/c1-10(15-13(2,3)4)11-6-8-12(14-5)9-7-11/h6-9H,1H2,2-5H3
InChIKeyQCKCFMZPFNCCSE-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.48
Rot. Bonds3

About 1-methoxy-4-[1-[(2-methylpropan-2-yl)oxy]ethenyl]benzene

1-methoxy-4-[1-[(2-methylpropan-2-yl)oxy]ethenyl]benzene (PubChem CID 135056470) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 1-methoxy-4-[1-[(2-methylpropan-2-yl)oxy]ethenyl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[1-[(2-methylpropan-2-yl)oxy]ethenyl]benzene
PubChem CID135056470
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name1-methoxy-4-[1-[(2-methylpropan-2-yl)oxy]ethenyl]benzene
SMILESC=C(OC(C)(C)C)c1ccc(OC)cc1
InChIInChI=1S/C13H18O2/c1-10(15-13(2,3)4)11-6-8-12(14-5)9-7-11/h6-9H,1H2,2-5H3
InChIKeyQCKCFMZPFNCCSE-UHFFFAOYSA-N
XLogP3.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.48
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

1-methoxy-4-(1-phenoxyethenyl)benzene
CID 89029241
4-methoxybenzoic acid;silver
CID 140722019
actinium;1-(4-methoxyphenyl)ethenol
CID 22892785
tert-butyl N-(4-methoxybenzoyl)carbamate
CID 14221825
1-methoxy-4-[4-[1-[4-(4-methoxyphenoxy)phenyl]ethenyl]phenoxy]benzene
CID 21292587
tert-butyl 2-[(4-methoxybenzoyl)amino]acetate
CID 135045716
tert-butyl (NZ)-N-[amino-(4-methoxyphenyl)methylidene]carbamate
CID 82480855
1-(3,3-difluoroprop-1-en-2-yl)-4-methoxybenzene
CID 169086546
1-methoxy-4-[(3R,4S)-5-(4-methoxyphenyl)-3,4-dimethylhexa-1,5-dien-2-yl]benzene
CID 100960960
tert-butyl N-[2-[(4-methoxybenzoyl)amino]ethyl]carbamate
CID 71505026
tert-butyl 2-[(4-methoxyphenyl)methoxy]prop-2-enoate
CID 11380047
CID 12714057
CID 12714057

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[1-[(2-methylpropan-2-yl)oxy]ethenyl]benzene?
The IUPAC name of 1-methoxy-4-[1-[(2-methylpropan-2-yl)oxy]ethenyl]benzene (CID 135056470) is 1-methoxy-4-[1-[(2-methylpropan-2-yl)oxy]ethenyl]benzene.
What is the SMILES notation for 1-methoxy-4-[1-[(2-methylpropan-2-yl)oxy]ethenyl]benzene?
The canonical SMILES for 1-methoxy-4-[1-[(2-methylpropan-2-yl)oxy]ethenyl]benzene is C=C(OC(C)(C)C)c1ccc(OC)cc1.
What is the InChIKey of 1-methoxy-4-[1-[(2-methylpropan-2-yl)oxy]ethenyl]benzene?
The InChIKey is QCKCFMZPFNCCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-10(15-13(2,3)4)11-6-8-12(14-5)9-7-11/h6-9H,1H2,2-5H3.
What are the key properties of 1-methoxy-4-[1-[(2-methylpropan-2-yl)oxy]ethenyl]benzene?
1-methoxy-4-[1-[(2-methylpropan-2-yl)oxy]ethenyl]benzene has a molecular weight of 206.28 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[1-[(2-methylpropan-2-yl)oxy]ethenyl]benzene is sourced from PubChem (CID 135056470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).