3-(3,4-diethylphenyl)-4-ethylbenzene-1,2-diol

C18H22O2 — CID 101302818

IUPAC3-(3,4-diethylphenyl)-4-ethylbenzene-1,2-diol
SMILESCCc1ccc(-c2c(CC)ccc(O)c2O)cc1CC
InChIInChI=1S/C18H22O2/c1-4-12-7-8-15(11-14(12)6-3)17-13(5-2)9-10-16(19)18(17)20/h7-11,19-20H,4-6H2,1-3H3
InChIKeyGTKMSWLPDLJYJP-UHFFFAOYSA-N
MW270.37 g/mol
LogP4.45
Rot. Bonds4

About 3-(3,4-diethylphenyl)-4-ethylbenzene-1,2-diol

3-(3,4-diethylphenyl)-4-ethylbenzene-1,2-diol (PubChem CID 101302818) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 3-(3,4-diethylphenyl)-4-ethylbenzene-1,2-diol.

Molecular Properties

Compound Name3-(3,4-diethylphenyl)-4-ethylbenzene-1,2-diol
PubChem CID101302818
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name3-(3,4-diethylphenyl)-4-ethylbenzene-1,2-diol
SMILESCCc1ccc(-c2c(CC)ccc(O)c2O)cc1CC
InChIInChI=1S/C18H22O2/c1-4-12-7-8-15(11-14(12)6-3)17-13(5-2)9-10-16(19)18(17)20/h7-11,19-20H,4-6H2,1-3H3
InChIKeyGTKMSWLPDLJYJP-UHFFFAOYSA-N
XLogP4.45
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(3,6-diethyl-2-hydroxyphenyl)benzene-1,2-diol
CID 101303274
3-(3,4-diethylphenyl)benzene-1,2-diol
CID 101302625
4-ethyl-3-(3-ethylphenyl)benzene-1,2-diol
CID 101302577
5-(3,4-diethylphenyl)-2-ethylphenol
CID 101302461
2-ethyl-4-[10-(3-ethyl-4-hydroxyphenyl)anthracen-9-yl]phenol
CID 151136569
2-(3,4-diethylphenyl)-1,3,5-trimethylbenzene
CID 91665788
4-(2,6-diethylphenyl)-2-methylphenol
CID 154385947
4-(2,4,5-triethylphenyl)benzene-1,2,3-triol
CID 101303385
3-(3,5-diethylphenyl)-5-ethylbenzene-1,2,4-triol
CID 101303357
4-ethyl-2-hydroxy-3-(4-hydroxyphenyl)benzamide
CID 174769014
4-ethyl-3-iodobenzene-1,2-diol
CID 118010885
3-(2,3,4-triethylphenyl)benzene-1,2,4-triol
CID 101303394

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-diethylphenyl)-4-ethylbenzene-1,2-diol?
The IUPAC name of 3-(3,4-diethylphenyl)-4-ethylbenzene-1,2-diol (CID 101302818) is 3-(3,4-diethylphenyl)-4-ethylbenzene-1,2-diol.
What is the SMILES notation for 3-(3,4-diethylphenyl)-4-ethylbenzene-1,2-diol?
The canonical SMILES for 3-(3,4-diethylphenyl)-4-ethylbenzene-1,2-diol is CCc1ccc(-c2c(CC)ccc(O)c2O)cc1CC.
What is the InChIKey of 3-(3,4-diethylphenyl)-4-ethylbenzene-1,2-diol?
The InChIKey is GTKMSWLPDLJYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-4-12-7-8-15(11-14(12)6-3)17-13(5-2)9-10-16(19)18(17)20/h7-11,19-20H,4-6H2,1-3H3.
What are the key properties of 3-(3,4-diethylphenyl)-4-ethylbenzene-1,2-diol?
3-(3,4-diethylphenyl)-4-ethylbenzene-1,2-diol has a molecular weight of 270.37 g/mol, XLogP of 4.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-diethylphenyl)-4-ethylbenzene-1,2-diol is sourced from PubChem (CID 101302818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).