2,3,4-trimethoxy-6-prop-2-enylphenol

C12H16O4 — CID 44719618

IUPAC2,3,4-trimethoxy-6-prop-2-enylphenol
SMILESC=CCc1cc(OC)c(OC)c(OC)c1O
InChIInChI=1S/C12H16O4/c1-5-6-8-7-9(14-2)11(15-3)12(16-4)10(8)13/h5,7,13H,1,6H2,2-4H3
InChIKeyYKWSOSNZSUCZCK-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.15
Rot. Bonds5

About 2,3,4-trimethoxy-6-prop-2-enylphenol

2,3,4-trimethoxy-6-prop-2-enylphenol (PubChem CID 44719618) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2,3,4-trimethoxy-6-prop-2-enylphenol.

Molecular Properties

Compound Name2,3,4-trimethoxy-6-prop-2-enylphenol
PubChem CID44719618
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name2,3,4-trimethoxy-6-prop-2-enylphenol
SMILESC=CCc1cc(OC)c(OC)c(OC)c1O
InChIInChI=1S/C12H16O4/c1-5-6-8-7-9(14-2)11(15-3)12(16-4)10(8)13/h5,7,13H,1,6H2,2-4H3
InChIKeyYKWSOSNZSUCZCK-UHFFFAOYSA-N
XLogP2.15
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-6-prop-2-enylbenzene-1,3-diol
CID 15775117
1,2-dimethoxy-5-methyl-3-prop-2-enylbenzene
CID 101116168
2-methoxy-3-methyl-6-prop-2-enylphenol
CID 130034718
(3,4-dimethoxy-5-prop-2-enylphenyl)methanamine
CID 47002652
(E)-3-(3,4-dimethoxy-5-prop-2-enylphenyl)prop-2-en-1-ol
CID 44610392
(3,4-dimethoxy-5-prop-2-enylphenyl)methanamine;hydrochloride
CID 47002651
4,5-dimethoxy-2-prop-2-enylaniline
CID 606353
1-(chloromethyl)-4,5-dimethoxy-2-methyl-3-prop-2-enylbenzene
CID 102500877
3-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)prop-2-enoic acid
CID 69212456
3-methoxy-4-prop-2-enoxy-5-prop-2-enylbenzoic acid
CID 68685212
4-(hydroxymethyl)-2,6-dimethoxybenzene-1,3-diol
CID 149144682
1-[4-methoxy-3,5-bis(prop-2-enyl)phenyl]ethanone
CID 54517444

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethoxy-6-prop-2-enylphenol?
The IUPAC name of 2,3,4-trimethoxy-6-prop-2-enylphenol (CID 44719618) is 2,3,4-trimethoxy-6-prop-2-enylphenol.
What is the SMILES notation for 2,3,4-trimethoxy-6-prop-2-enylphenol?
The canonical SMILES for 2,3,4-trimethoxy-6-prop-2-enylphenol is C=CCc1cc(OC)c(OC)c(OC)c1O.
What is the InChIKey of 2,3,4-trimethoxy-6-prop-2-enylphenol?
The InChIKey is YKWSOSNZSUCZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-5-6-8-7-9(14-2)11(15-3)12(16-4)10(8)13/h5,7,13H,1,6H2,2-4H3.
What are the key properties of 2,3,4-trimethoxy-6-prop-2-enylphenol?
2,3,4-trimethoxy-6-prop-2-enylphenol has a molecular weight of 224.26 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethoxy-6-prop-2-enylphenol is sourced from PubChem (CID 44719618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).