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

C18H22O3 — CID 101303394

IUPAC3-(2,3,4-triethylphenyl)benzene-1,2,4-triol
SMILESCCc1ccc(-c2c(O)ccc(O)c2O)c(CC)c1CC
InChIInChI=1S/C18H22O3/c1-4-11-7-8-14(13(6-3)12(11)5-2)17-15(19)9-10-16(20)18(17)21/h7-10,19-21H,4-6H2,1-3H3
InChIKeyZRJAIBGRYSHBKW-UHFFFAOYSA-N
MW286.37 g/mol
LogP4.16
Rot. Bonds4

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

3-(2,3,4-triethylphenyl)benzene-1,2,4-triol (PubChem CID 101303394) has the molecular formula C18H22O3 and a molecular weight of 286.37 g/mol. Its IUPAC name is 3-(2,3,4-triethylphenyl)benzene-1,2,4-triol.

Molecular Properties

Compound Name3-(2,3,4-triethylphenyl)benzene-1,2,4-triol
PubChem CID101303394
Molecular FormulaC18H22O3
Molecular Weight286.37 g/mol
Exact Mass286.16
IUPAC Name3-(2,3,4-triethylphenyl)benzene-1,2,4-triol
SMILESCCc1ccc(-c2c(O)ccc(O)c2O)c(CC)c1CC
InChIInChI=1S/C18H22O3/c1-4-11-7-8-14(13(6-3)12(11)5-2)17-15(19)9-10-16(20)18(17)21/h7-10,19-21H,4-6H2,1-3H3
InChIKeyZRJAIBGRYSHBKW-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'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-diethyl-3-hydroxyphenyl)benzene-1,3-diol
CID 101303262
2-(2,3,4-triethylphenyl)benzene-1,4-diol
CID 101302922
4-(2,3-diethyl-6-hydroxyphenyl)benzene-1,3-diol
CID 101303229
4-(2,3,6-trihydroxyphenyl)benzene-1,2,3-triol
CID 141142234
2-(2,3-diethylphenyl)-3-ethylphenol
CID 101302469
4-(2,3,4-triethylphenyl)phenol
CID 101302516
3-(2,6-diethyl-3-hydroxyphenyl)benzene-1,2-diol
CID 101303216
3-(chloromethyl)-4-ethylbenzene-1,2-diol
CID 154435867
3-ethyl-2-(2-ethyl-3-hydroxyphenyl)phenol
CID 101302719
2-(2,5-diethylphenyl)-3-ethylbenzene-1,4-diol
CID 101302876
4-(2,4,5-triethylphenyl)benzene-1,2,3-triol
CID 101303385
2,3-diethyl-4-(2-ethylphenyl)phenol
CID 101302433

Frequently Asked Questions

What is the IUPAC name of 3-(2,3,4-triethylphenyl)benzene-1,2,4-triol?
The IUPAC name of 3-(2,3,4-triethylphenyl)benzene-1,2,4-triol (CID 101303394) is 3-(2,3,4-triethylphenyl)benzene-1,2,4-triol.
What is the SMILES notation for 3-(2,3,4-triethylphenyl)benzene-1,2,4-triol?
The canonical SMILES for 3-(2,3,4-triethylphenyl)benzene-1,2,4-triol is CCc1ccc(-c2c(O)ccc(O)c2O)c(CC)c1CC.
What is the InChIKey of 3-(2,3,4-triethylphenyl)benzene-1,2,4-triol?
The InChIKey is ZRJAIBGRYSHBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O3/c1-4-11-7-8-14(13(6-3)12(11)5-2)17-15(19)9-10-16(20)18(17)21/h7-10,19-21H,4-6H2,1-3H3.
What are the key properties of 3-(2,3,4-triethylphenyl)benzene-1,2,4-triol?
3-(2,3,4-triethylphenyl)benzene-1,2,4-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 3-(2,3,4-triethylphenyl)benzene-1,2,4-triol is sourced from PubChem (CID 101303394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).