3-ethyl-6-(3-ethylphenyl)benzene-1,2-diol

C16H18O2 — CID 101302583

IUPAC3-ethyl-6-(3-ethylphenyl)benzene-1,2-diol
SMILESCCc1cccc(-c2ccc(CC)c(O)c2O)c1
InChIInChI=1S/C16H18O2/c1-3-11-6-5-7-13(10-11)14-9-8-12(4-2)15(17)16(14)18/h5-10,17-18H,3-4H2,1-2H3
InChIKeyFXHXWSSEEJBCIS-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.89
Rot. Bonds3

About 3-ethyl-6-(3-ethylphenyl)benzene-1,2-diol

3-ethyl-6-(3-ethylphenyl)benzene-1,2-diol (PubChem CID 101302583) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-ethyl-6-(3-ethylphenyl)benzene-1,2-diol.

Molecular Properties

Compound Name3-ethyl-6-(3-ethylphenyl)benzene-1,2-diol
PubChem CID101302583
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name3-ethyl-6-(3-ethylphenyl)benzene-1,2-diol
SMILESCCc1cccc(-c2ccc(CC)c(O)c2O)c1
InChIInChI=1S/C16H18O2/c1-3-11-6-5-7-13(10-11)14-9-8-12(4-2)15(17)16(14)18/h5-10,17-18H,3-4H2,1-2H3
InChIKeyFXHXWSSEEJBCIS-UHFFFAOYSA-N
XLogP3.89
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.89
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

1,4-diethyl-2-(3-ethylphenyl)benzene
CID 102240202
4-ethyl-3-(3-ethylphenyl)benzene-1,2-diol
CID 101302577
2,3-diethyl-4-(3-ethylphenyl)phenol
CID 101302434
2,4-diethyl-6-(3-ethylphenyl)benzene-1,3,5-triol
CID 101303320
2,6-diethyl-3-(3-hydroxyphenyl)phenol
CID 101302678
4-(3-ethylphenyl)-3-fluorophenol
CID 83130273
4-(2,5-diethylphenyl)-6-ethylbenzene-1,2,3-triol
CID 101303330
2-ethyl-6-(4-ethylphenyl)phenol
CID 101302359
1-(3-chlorophenyl)-2,4-diethylbenzene
CID 91574528
3-(3,4-diethylphenyl)benzene-1,2-diol
CID 101302625
2-[2-(3-ethylphenyl)phenyl]acetaldehyde
CID 87253918
1-ethyl-3-(3-ethylphenyl)benzene;methanediamine
CID 134305122

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-(3-ethylphenyl)benzene-1,2-diol?
The IUPAC name of 3-ethyl-6-(3-ethylphenyl)benzene-1,2-diol (CID 101302583) is 3-ethyl-6-(3-ethylphenyl)benzene-1,2-diol.
What is the SMILES notation for 3-ethyl-6-(3-ethylphenyl)benzene-1,2-diol?
The canonical SMILES for 3-ethyl-6-(3-ethylphenyl)benzene-1,2-diol is CCc1cccc(-c2ccc(CC)c(O)c2O)c1.
What is the InChIKey of 3-ethyl-6-(3-ethylphenyl)benzene-1,2-diol?
The InChIKey is FXHXWSSEEJBCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2/c1-3-11-6-5-7-13(10-11)14-9-8-12(4-2)15(17)16(14)18/h5-10,17-18H,3-4H2,1-2H3.
What are the key properties of 3-ethyl-6-(3-ethylphenyl)benzene-1,2-diol?
3-ethyl-6-(3-ethylphenyl)benzene-1,2-diol has a molecular weight of 242.32 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-(3-ethylphenyl)benzene-1,2-diol is sourced from PubChem (CID 101302583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).