2,3,6-trimethoxy-5-prop-1-enylphenol

C12H16O4 — CID 85344788

IUPAC2,3,6-trimethoxy-5-prop-1-enylphenol
SMILESCC=Cc1cc(OC)c(OC)c(O)c1OC
InChIInChI=1S/C12H16O4/c1-5-6-8-7-9(14-2)12(16-4)10(13)11(8)15-3/h5-7,13H,1-4H3
InChIKeyLNULYVLKYVWZFB-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.45
Rot. Bonds4

About 2,3,6-trimethoxy-5-prop-1-enylphenol

2,3,6-trimethoxy-5-prop-1-enylphenol (PubChem CID 85344788) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2,3,6-trimethoxy-5-prop-1-enylphenol.

Molecular Properties

Compound Name2,3,6-trimethoxy-5-prop-1-enylphenol
PubChem CID85344788
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name2,3,6-trimethoxy-5-prop-1-enylphenol
SMILESCC=Cc1cc(OC)c(OC)c(O)c1OC
InChIInChI=1S/C12H16O4/c1-5-6-8-7-9(14-2)12(16-4)10(13)11(8)15-3/h5-7,13H,1-4H3
InChIKeyLNULYVLKYVWZFB-UHFFFAOYSA-N
XLogP2.45
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,2,5-trimethoxy-3-[(E)-prop-1-enyl]benzene
CID 10443032
1,2,4-trimethoxy-5-prop-1-enylbenzene
CID 17903
4,7-dimethoxy-5-[(E)-prop-1-enyl]-1,3-benzodioxole
CID 15559838
1,2,3-trimethoxy-4-[(Z)-prop-1-enyl]benzene
CID 20839497
1-chloro-4,5-dimethoxy-2-[(E)-prop-1-enyl]benzene
CID 46906491
(NE)-N-[[4,5-dimethoxy-2-[(E)-prop-1-enyl]phenyl]methylidene]hydroxylamine
CID 134891354
[2,5-dimethoxy-4-[(E)-prop-1-enyl]phenyl]methanol
CID 90161973
3,4-dimethoxy-5-[(E)-prop-1-enyl]-N-prop-2-enylbenzamide
CID 17456116
2,3-dimethoxy-5,6-dimethylphenol
CID 53405608
2-methoxy-6-methyl-4-[(E)-prop-1-enyl]phenol
CID 45266886
3,4-dimethoxy-5-[(E)-prop-1-enyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 18105718
(2R)-2-(2,6-dimethoxy-4-prop-1-enylphenoxy)-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-1-one
CID 162960084

Frequently Asked Questions

What is the IUPAC name of 2,3,6-trimethoxy-5-prop-1-enylphenol?
The IUPAC name of 2,3,6-trimethoxy-5-prop-1-enylphenol (CID 85344788) is 2,3,6-trimethoxy-5-prop-1-enylphenol.
What is the SMILES notation for 2,3,6-trimethoxy-5-prop-1-enylphenol?
The canonical SMILES for 2,3,6-trimethoxy-5-prop-1-enylphenol is CC=Cc1cc(OC)c(OC)c(O)c1OC.
What is the InChIKey of 2,3,6-trimethoxy-5-prop-1-enylphenol?
The InChIKey is LNULYVLKYVWZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-5-6-8-7-9(14-2)12(16-4)10(13)11(8)15-3/h5-7,13H,1-4H3.
What are the key properties of 2,3,6-trimethoxy-5-prop-1-enylphenol?
2,3,6-trimethoxy-5-prop-1-enylphenol has a molecular weight of 224.26 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-trimethoxy-5-prop-1-enylphenol is sourced from PubChem (CID 85344788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).