4-(2,4,5-triethylphenyl)benzene-1,2,3-triol

C18H22O3 — CID 101303385

IUPAC4-(2,4,5-triethylphenyl)benzene-1,2,3-triol
SMILESCCc1cc(CC)c(-c2ccc(O)c(O)c2O)cc1CC
InChIInChI=1S/C18H22O3/c1-4-11-9-13(6-3)15(10-12(11)5-2)14-7-8-16(19)18(21)17(14)20/h7-10,19-21H,4-6H2,1-3H3
InChIKeyAIBSPDXLWRAVFH-UHFFFAOYSA-N
MW286.37 g/mol
LogP4.16
Rot. Bonds4

About 4-(2,4,5-triethylphenyl)benzene-1,2,3-triol

4-(2,4,5-triethylphenyl)benzene-1,2,3-triol (PubChem CID 101303385) has the molecular formula C18H22O3 and a molecular weight of 286.37 g/mol. Its IUPAC name is 4-(2,4,5-triethylphenyl)benzene-1,2,3-triol.

Molecular Properties

Compound Name4-(2,4,5-triethylphenyl)benzene-1,2,3-triol
PubChem CID101303385
Molecular FormulaC18H22O3
Molecular Weight286.37 g/mol
Exact Mass286.16
IUPAC Name4-(2,4,5-triethylphenyl)benzene-1,2,3-triol
SMILESCCc1cc(CC)c(-c2ccc(O)c(O)c2O)cc1CC
InChIInChI=1S/C18H22O3/c1-4-11-9-13(6-3)15(10-12(11)5-2)14-7-8-16(19)18(21)17(14)20/h7-10,19-21H,4-6H2,1-3H3
InChIKeyAIBSPDXLWRAVFH-UHFFFAOYSA-N
XLogP4.16
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 54.16
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'}

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Related Compounds

4-(2,3-dihydroxyphenyl)benzene-1,2,3-triol
CID 87697352
4-(2,4-diethyl-5-hydroxyphenyl)benzene-1,3-diol
CID 101303234
3-(3,4-diethylphenyl)benzene-1,2-diol
CID 101302625
2-ethyl-6-(3-ethyl-2-hydroxyphenyl)phenol
CID 14783606
2,3-diethylbiphenylene
CID 134993289
3-(5-ethyl-2-hydroxyphenyl)benzene-1,2-diol
CID 101303033
3-(3,4-diethylphenyl)-4-ethylbenzene-1,2-diol
CID 101302818
4-(2,5-diethylphenyl)-6-ethylbenzene-1,2,3-triol
CID 101303330
4-(2,4-diethylphenyl)-6-ethylbenzene-1,3-diol
CID 101302857
4-(4-hydroxy-2,5-dimethylphenyl)benzene-1,2,3-triol
CID 173290740
3-ethyl-2-(2-ethyl-4-hydroxyphenyl)phenol
CID 101302728
3,4-diethyl-6-(2-ethylphenyl)benzene-1,2-diol
CID 101302756

Frequently Asked Questions

What is the IUPAC name of 4-(2,4,5-triethylphenyl)benzene-1,2,3-triol?
The IUPAC name of 4-(2,4,5-triethylphenyl)benzene-1,2,3-triol (CID 101303385) is 4-(2,4,5-triethylphenyl)benzene-1,2,3-triol.
What is the SMILES notation for 4-(2,4,5-triethylphenyl)benzene-1,2,3-triol?
The canonical SMILES for 4-(2,4,5-triethylphenyl)benzene-1,2,3-triol is CCc1cc(CC)c(-c2ccc(O)c(O)c2O)cc1CC.
What is the InChIKey of 4-(2,4,5-triethylphenyl)benzene-1,2,3-triol?
The InChIKey is AIBSPDXLWRAVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O3/c1-4-11-9-13(6-3)15(10-12(11)5-2)14-7-8-16(19)18(21)17(14)20/h7-10,19-21H,4-6H2,1-3H3.
What are the key properties of 4-(2,4,5-triethylphenyl)benzene-1,2,3-triol?
4-(2,4,5-triethylphenyl)benzene-1,2,3-triol has a molecular weight of 286.37 g/mol, XLogP of 4.16, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4,5-triethylphenyl)benzene-1,2,3-triol is sourced from PubChem (CID 101303385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).