5-(3,5-diethylphenyl)-3-ethylbenzene-1,2,4-triol

C18H22O3 — CID 101303345

IUPAC5-(3,5-diethylphenyl)-3-ethylbenzene-1,2,4-triol
SMILESCCc1cc(CC)cc(-c2cc(O)c(O)c(CC)c2O)c1
InChIInChI=1S/C18H22O3/c1-4-11-7-12(5-2)9-13(8-11)15-10-16(19)18(21)14(6-3)17(15)20/h7-10,19-21H,4-6H2,1-3H3
InChIKeyBUHBNSKRGPADKS-UHFFFAOYSA-N
MW286.37 g/mol
LogP4.16
Rot. Bonds4

About 5-(3,5-diethylphenyl)-3-ethylbenzene-1,2,4-triol

5-(3,5-diethylphenyl)-3-ethylbenzene-1,2,4-triol (PubChem CID 101303345) has the molecular formula C18H22O3 and a molecular weight of 286.37 g/mol. Its IUPAC name is 5-(3,5-diethylphenyl)-3-ethylbenzene-1,2,4-triol.

Molecular Properties

Compound Name5-(3,5-diethylphenyl)-3-ethylbenzene-1,2,4-triol
PubChem CID101303345
Molecular FormulaC18H22O3
Molecular Weight286.37 g/mol
Exact Mass286.16
IUPAC Name5-(3,5-diethylphenyl)-3-ethylbenzene-1,2,4-triol
SMILESCCc1cc(CC)cc(-c2cc(O)c(O)c(CC)c2O)c1
InChIInChI=1S/C18H22O3/c1-4-11-7-12(5-2)9-13(8-11)15-10-16(19)18(21)14(6-3)17(15)20/h7-10,19-21H,4-6H2,1-3H3
InChIKeyBUHBNSKRGPADKS-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

4-(3,5-diethylphenyl)-3-ethylbenzene-1,2-diol
CID 101302801
5-(3,5-diethylphenyl)benzene-1,2,4-triol
CID 101303147
6-(3,5-diethylphenyl)-5-ethylbenzene-1,2,4-triol
CID 101303363
3-(3,5-diethylphenyl)-5-ethylbenzene-1,2,4-triol
CID 101303357
2,3-diethyl-5-phenylbenzene-1,4-diol
CID 23109186
3-(3-ethyl-5-hydroxyphenyl)benzene-1,2-diol
CID 101303037
2-(3-ethyl-5-hydroxyphenyl)benzene-1,4-diol
CID 101303057
2,4-diethyl-6-(3-ethylphenyl)benzene-1,3,5-triol
CID 101303320
3-chloro-5-ethylbenzene-1,2-diol
CID 84654490
5-ethyl-3-(2-hydroxyphenyl)benzene-1,2-diol
CID 101302987
2,3-diethyl-4-(3-ethylphenyl)phenol
CID 101302434
3,5-diethyl-4-(2-ethylphenyl)benzene-1,2-diol
CID 101302759

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-diethylphenyl)-3-ethylbenzene-1,2,4-triol?
The IUPAC name of 5-(3,5-diethylphenyl)-3-ethylbenzene-1,2,4-triol (CID 101303345) is 5-(3,5-diethylphenyl)-3-ethylbenzene-1,2,4-triol.
What is the SMILES notation for 5-(3,5-diethylphenyl)-3-ethylbenzene-1,2,4-triol?
The canonical SMILES for 5-(3,5-diethylphenyl)-3-ethylbenzene-1,2,4-triol is CCc1cc(CC)cc(-c2cc(O)c(O)c(CC)c2O)c1.
What is the InChIKey of 5-(3,5-diethylphenyl)-3-ethylbenzene-1,2,4-triol?
The InChIKey is BUHBNSKRGPADKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O3/c1-4-11-7-12(5-2)9-13(8-11)15-10-16(19)18(21)14(6-3)17(15)20/h7-10,19-21H,4-6H2,1-3H3.
What are the key properties of 5-(3,5-diethylphenyl)-3-ethylbenzene-1,2,4-triol?
5-(3,5-diethylphenyl)-3-ethylbenzene-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 5-(3,5-diethylphenyl)-3-ethylbenzene-1,2,4-triol is sourced from PubChem (CID 101303345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).