4-[(E)-but-2-enyl]-2-methoxy-3-methylphenol

C12H16O2 — CID 131239495

IUPAC4-[(E)-but-2-enyl]-2-methoxy-3-methylphenol
SMILESC/C=C/Cc1ccc(O)c(OC)c1C
InChIInChI=1S/C12H16O2/c1-4-5-6-10-7-8-11(13)12(14-3)9(10)2/h4-5,7-8,13H,6H2,1-3H3/b5-4+
InChIKeyNIBQEWQAAKXFMJ-SNAWJCMRSA-N
MW192.26 g/mol
LogP2.83
Rot. Bonds3

About 4-[(E)-but-2-enyl]-2-methoxy-3-methylphenol

4-[(E)-but-2-enyl]-2-methoxy-3-methylphenol (PubChem CID 131239495) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 4-[(E)-but-2-enyl]-2-methoxy-3-methylphenol.

Molecular Properties

Compound Name4-[(E)-but-2-enyl]-2-methoxy-3-methylphenol
PubChem CID131239495
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name4-[(E)-but-2-enyl]-2-methoxy-3-methylphenol
SMILESC/C=C/Cc1ccc(O)c(OC)c1C
InChIInChI=1S/C12H16O2/c1-4-5-6-10-7-8-11(13)12(14-3)9(10)2/h4-5,7-8,13H,6H2,1-3H3/b5-4+
InChIKeyNIBQEWQAAKXFMJ-SNAWJCMRSA-N
XLogP2.83
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-3-methyl-4-prop-2-enylphenol
CID 15607491
4-chloro-2-methoxy-3-methylphenol
CID 124706065
3-ethenyl-4-ethyl-2-methoxyphenol
CID 174818849
1-ethyl-2-methoxy-4-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-3-methylbenzene
CID 141251614
1-methoxy-2,3-dimethyl-4-[(Z)-pent-3-enyl]benzene
CID 83939746
1-(4-hydroxy-3-methoxy-2-methylphenyl)propan-1-one
CID 91750719
2,3-dimethoxy-4-methylphenol;propane
CID 143012581
3-(4-hydroxy-3-methoxy-2-methylphenyl)prop-2-enal
CID 173246032
1-[(E)-but-2-enyl]naphthalen-2-ol
CID 11564655
2-(4-fluoro-3-methoxy-2-methylphenyl)ethanamine
CID 59994575
1-[(E)-but-2-enyl]-2,3-difluoro-4-methylbenzene
CID 89273805
6-(4-hydroxy-3-methoxy-2-methylphenyl)-5-methyl-2-propylhexanenitrile
CID 158666845

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-but-2-enyl]-2-methoxy-3-methylphenol?
The IUPAC name of 4-[(E)-but-2-enyl]-2-methoxy-3-methylphenol (CID 131239495) is 4-[(E)-but-2-enyl]-2-methoxy-3-methylphenol.
What is the SMILES notation for 4-[(E)-but-2-enyl]-2-methoxy-3-methylphenol?
The canonical SMILES for 4-[(E)-but-2-enyl]-2-methoxy-3-methylphenol is C/C=C/Cc1ccc(O)c(OC)c1C.
What is the InChIKey of 4-[(E)-but-2-enyl]-2-methoxy-3-methylphenol?
The InChIKey is NIBQEWQAAKXFMJ-SNAWJCMRSA-N. The full InChI is InChI=1S/C12H16O2/c1-4-5-6-10-7-8-11(13)12(14-3)9(10)2/h4-5,7-8,13H,6H2,1-3H3/b5-4+.
What are the key properties of 4-[(E)-but-2-enyl]-2-methoxy-3-methylphenol?
4-[(E)-but-2-enyl]-2-methoxy-3-methylphenol has a molecular weight of 192.26 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-but-2-enyl]-2-methoxy-3-methylphenol is sourced from PubChem (CID 131239495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).