1-methoxy-4-[3-[(E)-2-methoxyethenyl]-2,2-dimethylcyclopropyl]benzene

C15H20O2 — CID 22347579

IUPAC1-methoxy-4-[3-[(E)-2-methoxyethenyl]-2,2-dimethylcyclopropyl]benzene
SMILESCO/C=C/C1C(c2ccc(OC)cc2)C1(C)C
InChIInChI=1S/C15H20O2/c1-15(2)13(9-10-16-3)14(15)11-5-7-12(17-4)8-6-11/h5-10,13-14H,1-4H3/b10-9+
InChIKeyQGOZVDHWFDYIFY-MDZDMXLPSA-N
MW232.32 g/mol
LogP3.59
Rot. Bonds4

About 1-methoxy-4-[3-[(E)-2-methoxyethenyl]-2,2-dimethylcyclopropyl]benzene

1-methoxy-4-[3-[(E)-2-methoxyethenyl]-2,2-dimethylcyclopropyl]benzene (PubChem CID 22347579) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 1-methoxy-4-[3-[(E)-2-methoxyethenyl]-2,2-dimethylcyclopropyl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[3-[(E)-2-methoxyethenyl]-2,2-dimethylcyclopropyl]benzene
PubChem CID22347579
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name1-methoxy-4-[3-[(E)-2-methoxyethenyl]-2,2-dimethylcyclopropyl]benzene
SMILESCO/C=C/C1C(c2ccc(OC)cc2)C1(C)C
InChIInChI=1S/C15H20O2/c1-15(2)13(9-10-16-3)14(15)11-5-7-12(17-4)8-6-11/h5-10,13-14H,1-4H3/b10-9+
InChIKeyQGOZVDHWFDYIFY-MDZDMXLPSA-N
XLogP3.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.59
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

cis-dimethyl (2R,3S)-2-formyl-3-(4-methoxyphenyl)cyclopropane-1,1-dicarboxylate
CID 101430337
1-[2,2-dichloro-3-(4-iodophenyl)cyclopropyl]-4-methoxybenzene
CID 134413250
3-(4-methoxyphenyl)-1,2,2-trimethylaziridine
CID 162398178
2,2-diethyl-3-(4-methoxyphenyl)-4-methylcyclobutan-1-ol
CID 81422138
ethane;1-methoxy-4-(2,2,3-trimethylcyclopentyl)benzene
CID 143890955
5-[(1R,3R)-3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]-4-methyl-1H-imidazol-2-amine
CID 135415849
1-(4,4-dimethylcyclohexyl)-4-methoxybenzene
CID 18414650
1-methoxy-4-[(1R,2S)-2-(4-methoxyphenyl)-1-methylcyclopropyl]benzene
CID 778703
N-[(1S,3R)-3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]benzamide
CID 25255130
1,3-dibromo-5-[(1R,3R)-2,2-dichloro-3-(4-methoxyphenyl)cyclopropyl]benzene
CID 122624725
(1S,2R,3R,4S)-2-(4-methoxyphenyl)-1,3-dimethylcycloheptane-1,4-diol
CID 164678871
15-(4-methoxyphenyl)-1,16-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene
CID 132569222

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[3-[(E)-2-methoxyethenyl]-2,2-dimethylcyclopropyl]benzene?
The IUPAC name of 1-methoxy-4-[3-[(E)-2-methoxyethenyl]-2,2-dimethylcyclopropyl]benzene (CID 22347579) is 1-methoxy-4-[3-[(E)-2-methoxyethenyl]-2,2-dimethylcyclopropyl]benzene.
What is the SMILES notation for 1-methoxy-4-[3-[(E)-2-methoxyethenyl]-2,2-dimethylcyclopropyl]benzene?
The canonical SMILES for 1-methoxy-4-[3-[(E)-2-methoxyethenyl]-2,2-dimethylcyclopropyl]benzene is CO/C=C/C1C(c2ccc(OC)cc2)C1(C)C.
What is the InChIKey of 1-methoxy-4-[3-[(E)-2-methoxyethenyl]-2,2-dimethylcyclopropyl]benzene?
The InChIKey is QGOZVDHWFDYIFY-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H20O2/c1-15(2)13(9-10-16-3)14(15)11-5-7-12(17-4)8-6-11/h5-10,13-14H,1-4H3/b10-9+.
What are the key properties of 1-methoxy-4-[3-[(E)-2-methoxyethenyl]-2,2-dimethylcyclopropyl]benzene?
1-methoxy-4-[3-[(E)-2-methoxyethenyl]-2,2-dimethylcyclopropyl]benzene has a molecular weight of 232.32 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[3-[(E)-2-methoxyethenyl]-2,2-dimethylcyclopropyl]benzene is sourced from PubChem (CID 22347579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).