3,4-diethyl-2,6-dihydroxybenzoic acid

C11H14O4 — CID 141390426

IUPAC3,4-diethyl-2,6-dihydroxybenzoic acid
SMILESCCc1cc(O)c(C(=O)O)c(O)c1CC
InChIInChI=1S/C11H14O4/c1-3-6-5-8(12)9(11(14)15)10(13)7(6)4-2/h5,12-13H,3-4H2,1-2H3,(H,14,15)
InChIKeyNAVJUNGYMHJOAB-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.92
Rot. Bonds3

About 3,4-diethyl-2,6-dihydroxybenzoic acid

3,4-diethyl-2,6-dihydroxybenzoic acid (PubChem CID 141390426) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 3,4-diethyl-2,6-dihydroxybenzoic acid.

Molecular Properties

Compound Name3,4-diethyl-2,6-dihydroxybenzoic acid
PubChem CID141390426
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name3,4-diethyl-2,6-dihydroxybenzoic acid
SMILESCCc1cc(O)c(C(=O)O)c(O)c1CC
InChIInChI=1S/C11H14O4/c1-3-6-5-8(12)9(11(14)15)10(13)7(6)4-2/h5,12-13H,3-4H2,1-2H3,(H,14,15)
InChIKeyNAVJUNGYMHJOAB-UHFFFAOYSA-N
XLogP1.92
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-diethyl-3-fluoro-6-hydroxyphenyl)ethanone
CID 102273469
(2,4-diethyl-3-fluoro-6-hydroxyphenyl)-phenylmethanone
CID 102273470
4,5-diethyl-2-phenoxybenzene-1,3-diol
CID 87448022
3-[(2E)-3,7-dimethylocta-2,6-dienyl]-6-ethyl-2,4-dihydroxybenzoic acid
CID 169440142
2,3-dihydroxy-5,6-dioctylbenzoic acid
CID 87859104
4-[(4-carboxy-6-ethyl-3-hydroxynaphthalen-1-yl)methyl]-7-ethyl-2-hydroxynaphthalene-1-carboxylic acid
CID 19770634
3,5-dihydroxy-2-prop-2-enylterephthalic acid
CID 87696184
3-ethoxy-4,5-diethylbenzene-1,2-diol
CID 154435107
3,5-diethyl-4-methylphthalic acid
CID 87702894
2,6-dihydroxy-3-propylbenzoic acid
CID 67658629
6-ethyl-2,4-dihydroxy-3-[(2,4,4-trimethylcyclohexen-1-yl)methyl]benzoic acid
CID 170366592
2,3,6-triethyl-5-phenylphenol
CID 101302393

Frequently Asked Questions

What is the IUPAC name of 3,4-diethyl-2,6-dihydroxybenzoic acid?
The IUPAC name of 3,4-diethyl-2,6-dihydroxybenzoic acid (CID 141390426) is 3,4-diethyl-2,6-dihydroxybenzoic acid.
What is the SMILES notation for 3,4-diethyl-2,6-dihydroxybenzoic acid?
The canonical SMILES for 3,4-diethyl-2,6-dihydroxybenzoic acid is CCc1cc(O)c(C(=O)O)c(O)c1CC.
What is the InChIKey of 3,4-diethyl-2,6-dihydroxybenzoic acid?
The InChIKey is NAVJUNGYMHJOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-3-6-5-8(12)9(11(14)15)10(13)7(6)4-2/h5,12-13H,3-4H2,1-2H3,(H,14,15).
What are the key properties of 3,4-diethyl-2,6-dihydroxybenzoic acid?
3,4-diethyl-2,6-dihydroxybenzoic acid has a molecular weight of 210.23 g/mol, XLogP of 1.92, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethyl-2,6-dihydroxybenzoic acid is sourced from PubChem (CID 141390426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).