2-[(E)-1-methoxyprop-1-enyl]-5-methylphenol

C11H14O2 — CID 130240719

IUPAC2-[(E)-1-methoxyprop-1-enyl]-5-methylphenol
SMILESC/C=C(/OC)c1ccc(C)cc1O
InChIInChI=1S/C11H14O2/c1-4-11(13-3)9-6-5-8(2)7-10(9)12/h4-7,12H,1-3H3/b11-4+
InChIKeyOMOBNWVWQWISFT-NYYWCZLTSA-N
MW178.23 g/mol
LogP2.71
Rot. Bonds2

About 2-[(E)-1-methoxyprop-1-enyl]-5-methylphenol

2-[(E)-1-methoxyprop-1-enyl]-5-methylphenol (PubChem CID 130240719) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 2-[(E)-1-methoxyprop-1-enyl]-5-methylphenol.

Molecular Properties

Compound Name2-[(E)-1-methoxyprop-1-enyl]-5-methylphenol
PubChem CID130240719
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name2-[(E)-1-methoxyprop-1-enyl]-5-methylphenol
SMILESC/C=C(/OC)c1ccc(C)cc1O
InChIInChI=1S/C11H14O2/c1-4-11(13-3)9-6-5-8(2)7-10(9)12/h4-7,12H,1-3H3/b11-4+
InChIKeyOMOBNWVWQWISFT-NYYWCZLTSA-N
XLogP2.71
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1-methoxyprop-1-enyl]-5-methylphenol?
The IUPAC name of 2-[(E)-1-methoxyprop-1-enyl]-5-methylphenol (CID 130240719) is 2-[(E)-1-methoxyprop-1-enyl]-5-methylphenol.
What is the SMILES notation for 2-[(E)-1-methoxyprop-1-enyl]-5-methylphenol?
The canonical SMILES for 2-[(E)-1-methoxyprop-1-enyl]-5-methylphenol is C/C=C(/OC)c1ccc(C)cc1O.
What is the InChIKey of 2-[(E)-1-methoxyprop-1-enyl]-5-methylphenol?
The InChIKey is OMOBNWVWQWISFT-NYYWCZLTSA-N. The full InChI is InChI=1S/C11H14O2/c1-4-11(13-3)9-6-5-8(2)7-10(9)12/h4-7,12H,1-3H3/b11-4+.
What are the key properties of 2-[(E)-1-methoxyprop-1-enyl]-5-methylphenol?
2-[(E)-1-methoxyprop-1-enyl]-5-methylphenol has a molecular weight of 178.23 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-methoxyprop-1-enyl]-5-methylphenol is sourced from PubChem (CID 130240719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).