3-ethoxy-4,5-diethylbenzene-1,2-diol

C12H18O3 — CID 154435107

IUPAC3-ethoxy-4,5-diethylbenzene-1,2-diol
SMILESCCOc1c(O)c(O)cc(CC)c1CC
InChIInChI=1S/C12H18O3/c1-4-8-7-10(13)11(14)12(15-6-3)9(8)5-2/h7,13-14H,4-6H2,1-3H3
InChIKeyACFWCIWYJBUESY-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.62
Rot. Bonds4

About 3-ethoxy-4,5-diethylbenzene-1,2-diol

3-ethoxy-4,5-diethylbenzene-1,2-diol (PubChem CID 154435107) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 3-ethoxy-4,5-diethylbenzene-1,2-diol.

Molecular Properties

Compound Name3-ethoxy-4,5-diethylbenzene-1,2-diol
PubChem CID154435107
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name3-ethoxy-4,5-diethylbenzene-1,2-diol
SMILESCCOc1c(O)c(O)cc(CC)c1CC
InChIInChI=1S/C12H18O3/c1-4-8-7-10(13)11(14)12(15-6-3)9(8)5-2/h7,13-14H,4-6H2,1-3H3
InChIKeyACFWCIWYJBUESY-UHFFFAOYSA-N
XLogP2.62
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-5-ethyl-2,3-dimethylphenol
CID 162375138
4-ethoxy-2,6-diethyl-3-methylphenol
CID 162375052
4,5-diethyl-2-phenoxybenzene-1,3-diol
CID 87448022
3,4-diethyl-2,6-dihydroxybenzoic acid
CID 141390426
3-hexoxy-4,5-dipropylbenzene-1,2-diol
CID 154435208
3-nonoxy-4,5-dipropylbenzene-1,2-diol
CID 154435214
3-heptoxy-4,5-dipropylbenzene-1,2-diol
CID 154435210
4-butyl-5-ethyl-3-pentylbenzene-1,2-diol
CID 87875373
4-ethoxy-2,3,5-trifluorophenol
CID 174599301
4-ethoxy-3,5-dihydroxybenzoic acid
CID 55283148
1-(5-ethoxy-4-ethyl-2-hydroxyphenyl)ethanone
CID 171033647
4,5-diethoxy-3-propan-2-ylbenzene-1,2-diol
CID 87960841

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4,5-diethylbenzene-1,2-diol?
The IUPAC name of 3-ethoxy-4,5-diethylbenzene-1,2-diol (CID 154435107) is 3-ethoxy-4,5-diethylbenzene-1,2-diol.
What is the SMILES notation for 3-ethoxy-4,5-diethylbenzene-1,2-diol?
The canonical SMILES for 3-ethoxy-4,5-diethylbenzene-1,2-diol is CCOc1c(O)c(O)cc(CC)c1CC.
What is the InChIKey of 3-ethoxy-4,5-diethylbenzene-1,2-diol?
The InChIKey is ACFWCIWYJBUESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-4-8-7-10(13)11(14)12(15-6-3)9(8)5-2/h7,13-14H,4-6H2,1-3H3.
What are the key properties of 3-ethoxy-4,5-diethylbenzene-1,2-diol?
3-ethoxy-4,5-diethylbenzene-1,2-diol has a molecular weight of 210.27 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4,5-diethylbenzene-1,2-diol is sourced from PubChem (CID 154435107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).