3-ethyl-5,6-dimethylbenzene-1,2,4-triol

C10H14O3 — CID 130033537

IUPAC3-ethyl-5,6-dimethylbenzene-1,2,4-triol
SMILESCCc1c(O)c(C)c(C)c(O)c1O
InChIInChI=1S/C10H14O3/c1-4-7-8(11)5(2)6(3)9(12)10(7)13/h11-13H,4H2,1-3H3
InChIKeyAUYRYYPQTYIPGS-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.98
Rot. Bonds1

About 3-ethyl-5,6-dimethylbenzene-1,2,4-triol

3-ethyl-5,6-dimethylbenzene-1,2,4-triol (PubChem CID 130033537) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 3-ethyl-5,6-dimethylbenzene-1,2,4-triol.

Molecular Properties

Compound Name3-ethyl-5,6-dimethylbenzene-1,2,4-triol
PubChem CID130033537
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name3-ethyl-5,6-dimethylbenzene-1,2,4-triol
SMILESCCc1c(O)c(C)c(C)c(O)c1O
InChIInChI=1S/C10H14O3/c1-4-7-8(11)5(2)6(3)9(12)10(7)13/h11-13H,4H2,1-3H3
InChIKeyAUYRYYPQTYIPGS-UHFFFAOYSA-N
XLogP1.98
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-butyl-3-ethyl-4,5,6-trimethylphenol
CID 139832207
4-chloro-2,6-diethyl-3,5-dimethylphenol
CID 175454218
3-butan-2-yl-6-ethylbenzene-1,2,4,5-tetrol
CID 165047027
5-ethyl-2,3-dimethylbenzene-1,4-diol
CID 86605484
2,3-bis(hydroxymethyl)-4,5,6-trimethylphenol
CID 89240723
2-ethyl-4,6-difluoro-3-methylphenol
CID 134178031
2-hexyl-3,5,6-trimethylbenzene-1,4-diol
CID 54410665
5-(1-aminopropan-2-yloxy)-6-ethyl-3-methylbenzene-1,2,4-triol
CID 163959970
3-ethyl-4,5-dimethylfuran-2-ol
CID 175576907
2,6-diethyl-3,5-dimethyl-4-propan-2-yloxyphenol
CID 162375100
6-chloro-2-ethyl-3-methylphenol
CID 123495023
2-ethyl-3,5-bis(methoxymethyl)-6-methylphenol
CID 59672204

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5,6-dimethylbenzene-1,2,4-triol?
The IUPAC name of 3-ethyl-5,6-dimethylbenzene-1,2,4-triol (CID 130033537) is 3-ethyl-5,6-dimethylbenzene-1,2,4-triol.
What is the SMILES notation for 3-ethyl-5,6-dimethylbenzene-1,2,4-triol?
The canonical SMILES for 3-ethyl-5,6-dimethylbenzene-1,2,4-triol is CCc1c(O)c(C)c(C)c(O)c1O.
What is the InChIKey of 3-ethyl-5,6-dimethylbenzene-1,2,4-triol?
The InChIKey is AUYRYYPQTYIPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-4-7-8(11)5(2)6(3)9(12)10(7)13/h11-13H,4H2,1-3H3.
What are the key properties of 3-ethyl-5,6-dimethylbenzene-1,2,4-triol?
3-ethyl-5,6-dimethylbenzene-1,2,4-triol has a molecular weight of 182.22 g/mol, XLogP of 1.98, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5,6-dimethylbenzene-1,2,4-triol is sourced from PubChem (CID 130033537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).