3,4,5-triethoxyphenol

C12H18O4 — CID 19754898

IUPAC3,4,5-triethoxyphenol
SMILESCCOc1cc(O)cc(OCC)c1OCC
InChIInChI=1S/C12H18O4/c1-4-14-10-7-9(13)8-11(15-5-2)12(10)16-6-3/h7-8,13H,4-6H2,1-3H3
InChIKeyGRXDVBUGOWLXAZ-UHFFFAOYSA-N
MW226.27 g/mol
LogP2.59
Rot. Bonds6

About 3,4,5-triethoxyphenol

3,4,5-triethoxyphenol (PubChem CID 19754898) has the molecular formula C12H18O4 and a molecular weight of 226.27 g/mol. Its IUPAC name is 3,4,5-triethoxyphenol.

Molecular Properties

Compound Name3,4,5-triethoxyphenol
PubChem CID19754898
Molecular FormulaC12H18O4
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name3,4,5-triethoxyphenol
SMILESCCOc1cc(O)cc(OCC)c1OCC
InChIInChI=1S/C12H18O4/c1-4-14-10-7-9(13)8-11(15-5-2)12(10)16-6-3/h7-8,13H,4-6H2,1-3H3
InChIKeyGRXDVBUGOWLXAZ-UHFFFAOYSA-N
XLogP2.59
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-5-ethoxy-4-methoxyphenol
CID 121210329
1,2,3-triethoxy-5-ethylbenzene
CID 91457664
5-ethoxy-4-methylbenzene-1,3-diol
CID 130032613
3,4,5-triethoxybenzenecarbothioamide
CID 82346489
CID 151326583
CID 151326583
2-methyl-1-(3,4,5-triethoxyphenyl)butan-1-ol
CID 115823357
2-ethoxy-4,6-dihydroxybenzaldehyde
CID 130024854
4,5-diethoxy-3-propan-2-ylbenzene-1,2-diol
CID 87960841
3-ethoxy-2-fluoro-5-hydroxybenzonitrile
CID 18444762
(2-amino-2-oxoethyl) 3,4,5-triethoxybenzoate
CID 2363630
3-methyl-1-(3,4,5-triethoxyphenyl)but-3-en-1-one
CID 115780575
methyl 3-ethoxy-5-hydroxy-4-methoxybenzoate
CID 177233535

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxyphenol?
The IUPAC name of 3,4,5-triethoxyphenol (CID 19754898) is 3,4,5-triethoxyphenol.
What is the SMILES notation for 3,4,5-triethoxyphenol?
The canonical SMILES for 3,4,5-triethoxyphenol is CCOc1cc(O)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxyphenol?
The InChIKey is GRXDVBUGOWLXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O4/c1-4-14-10-7-9(13)8-11(15-5-2)12(10)16-6-3/h7-8,13H,4-6H2,1-3H3.
What are the key properties of 3,4,5-triethoxyphenol?
3,4,5-triethoxyphenol has a molecular weight of 226.27 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxyphenol is sourced from PubChem (CID 19754898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).