1-methoxy-2-[(E)-1-methoxyprop-1-en-2-yl]benzene

C11H14O2 — CID 67583154

IUPAC1-methoxy-2-[(E)-1-methoxyprop-1-en-2-yl]benzene
SMILESCO/C=C(\C)c1ccccc1OC
InChIInChI=1S/C11H14O2/c1-9(8-12-2)10-6-4-5-7-11(10)13-3/h4-8H,1-3H3/b9-8+
InChIKeyKLIRSMRFMGEYHA-CMDGGOBGSA-N
MW178.23 g/mol
LogP2.70
Rot. Bonds3

About 1-methoxy-2-[(E)-1-methoxyprop-1-en-2-yl]benzene

1-methoxy-2-[(E)-1-methoxyprop-1-en-2-yl]benzene (PubChem CID 67583154) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 1-methoxy-2-[(E)-1-methoxyprop-1-en-2-yl]benzene.

Molecular Properties

Compound Name1-methoxy-2-[(E)-1-methoxyprop-1-en-2-yl]benzene
PubChem CID67583154
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name1-methoxy-2-[(E)-1-methoxyprop-1-en-2-yl]benzene
SMILESCO/C=C(\C)c1ccccc1OC
InChIInChI=1S/C11H14O2/c1-9(8-12-2)10-6-4-5-7-11(10)13-3/h4-8H,1-3H3/b9-8+
InChIKeyKLIRSMRFMGEYHA-CMDGGOBGSA-N
XLogP2.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.70
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

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CID 59315519
1-[(E)-1-methoxyprop-1-en-2-yl]-2-phenylbenzene
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CID 14347228
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CID 101435872
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1-[(Z)-1,2-dichloroprop-1-enyl]-2-methoxybenzene
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CID 154457857
1-methoxy-2-[(1Z,3Z)-4-(2-methoxyphenyl)-1,4-bis(phenylsulfanyl)buta-1,3-dienyl]benzene
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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-[(E)-1-methoxyprop-1-en-2-yl]benzene?
The IUPAC name of 1-methoxy-2-[(E)-1-methoxyprop-1-en-2-yl]benzene (CID 67583154) is 1-methoxy-2-[(E)-1-methoxyprop-1-en-2-yl]benzene.
What is the SMILES notation for 1-methoxy-2-[(E)-1-methoxyprop-1-en-2-yl]benzene?
The canonical SMILES for 1-methoxy-2-[(E)-1-methoxyprop-1-en-2-yl]benzene is CO/C=C(\C)c1ccccc1OC.
What is the InChIKey of 1-methoxy-2-[(E)-1-methoxyprop-1-en-2-yl]benzene?
The InChIKey is KLIRSMRFMGEYHA-CMDGGOBGSA-N. The full InChI is InChI=1S/C11H14O2/c1-9(8-12-2)10-6-4-5-7-11(10)13-3/h4-8H,1-3H3/b9-8+.
What are the key properties of 1-methoxy-2-[(E)-1-methoxyprop-1-en-2-yl]benzene?
1-methoxy-2-[(E)-1-methoxyprop-1-en-2-yl]benzene has a molecular weight of 178.23 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-[(E)-1-methoxyprop-1-en-2-yl]benzene is sourced from PubChem (CID 67583154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).