1-methoxy-4-(3-methyl-2-methylidenebut-3-enoxy)benzene

C13H16O2 — CID 11117166

IUPAC1-methoxy-4-(3-methyl-2-methylidenebut-3-enoxy)benzene
SMILESC=C(C)C(=C)COc1ccc(OC)cc1
InChIInChI=1S/C13H16O2/c1-10(2)11(3)9-15-13-7-5-12(14-4)6-8-13/h5-8H,1,3,9H2,2,4H3
InChIKeyAGRTXVWAAUGXDG-UHFFFAOYSA-N
MW204.27 g/mol
LogP3.21
Rot. Bonds5

About 1-methoxy-4-(3-methyl-2-methylidenebut-3-enoxy)benzene

1-methoxy-4-(3-methyl-2-methylidenebut-3-enoxy)benzene (PubChem CID 11117166) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-methoxy-4-(3-methyl-2-methylidenebut-3-enoxy)benzene.

Molecular Properties

Compound Name1-methoxy-4-(3-methyl-2-methylidenebut-3-enoxy)benzene
PubChem CID11117166
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name1-methoxy-4-(3-methyl-2-methylidenebut-3-enoxy)benzene
SMILESC=C(C)C(=C)COc1ccc(OC)cc1
InChIInChI=1S/C13H16O2/c1-10(2)11(3)9-15-13-7-5-12(14-4)6-8-13/h5-8H,1,3,9H2,2,4H3
InChIKeyAGRTXVWAAUGXDG-UHFFFAOYSA-N
XLogP3.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxyphenoxy)butane-2,3-dione
CID 69127399
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(4-methoxyphenoxy)methanol
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1-methoxy-4-(2-methylidene-4-phenylbut-3-ynoxy)benzene
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N-[2-[(4-methoxyphenoxy)methyl]prop-2-enyl]-1,1-diphenylmethanimine
CID 25260054
(E)-4-(4-methoxyphenoxy)-3-methylbut-2-enoic acid
CID 63775060
1-methoxy-4-[(3R,4S)-5-(4-methoxyphenyl)-3,4-dimethylhexa-1,5-dien-2-yl]benzene
CID 100960960
2-(4-methoxyphenoxy)-N-methylacetamide
CID 606867
4-methoxy-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide
CID 17097607
N-[2-[(4-methoxyphenoxy)methyl]prop-2-enyl]cyclopropanamine
CID 103066708
[4-(4-methoxyphenyl)piperazin-1-yl]-[4-(2-methylprop-2-enoxy)phenyl]methanone
CID 40696784
1-[4-[(3Z)-5-ethoxy-3,4-difluoro-2-methylidenehexa-3,5-dienoxy]phenyl]-2,3-difluoro-4-(4-methoxyphenyl)benzene
CID 143909647

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-(3-methyl-2-methylidenebut-3-enoxy)benzene?
The IUPAC name of 1-methoxy-4-(3-methyl-2-methylidenebut-3-enoxy)benzene (CID 11117166) is 1-methoxy-4-(3-methyl-2-methylidenebut-3-enoxy)benzene.
What is the SMILES notation for 1-methoxy-4-(3-methyl-2-methylidenebut-3-enoxy)benzene?
The canonical SMILES for 1-methoxy-4-(3-methyl-2-methylidenebut-3-enoxy)benzene is C=C(C)C(=C)COc1ccc(OC)cc1.
What is the InChIKey of 1-methoxy-4-(3-methyl-2-methylidenebut-3-enoxy)benzene?
The InChIKey is AGRTXVWAAUGXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-10(2)11(3)9-15-13-7-5-12(14-4)6-8-13/h5-8H,1,3,9H2,2,4H3.
What are the key properties of 1-methoxy-4-(3-methyl-2-methylidenebut-3-enoxy)benzene?
1-methoxy-4-(3-methyl-2-methylidenebut-3-enoxy)benzene has a molecular weight of 204.27 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(3-methyl-2-methylidenebut-3-enoxy)benzene is sourced from PubChem (CID 11117166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).