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

C18H22O2 — CID 101302876

IUPAC2-(2,5-diethylphenyl)-3-ethylbenzene-1,4-diol
SMILESCCc1ccc(CC)c(-c2c(O)ccc(O)c2CC)c1
InChIInChI=1S/C18H22O2/c1-4-12-7-8-13(5-2)15(11-12)18-14(6-3)16(19)9-10-17(18)20/h7-11,19-20H,4-6H2,1-3H3
InChIKeyCHOMDRNBQKTNJG-UHFFFAOYSA-N
MW270.37 g/mol
LogP4.45
Rot. Bonds4

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

2-(2,5-diethylphenyl)-3-ethylbenzene-1,4-diol (PubChem CID 101302876) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-(2,5-diethylphenyl)-3-ethylbenzene-1,4-diol.

Molecular Properties

Compound Name2-(2,5-diethylphenyl)-3-ethylbenzene-1,4-diol
PubChem CID101302876
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name2-(2,5-diethylphenyl)-3-ethylbenzene-1,4-diol
SMILESCCc1ccc(CC)c(-c2c(O)ccc(O)c2CC)c1
InChIInChI=1S/C18H22O2/c1-4-12-7-8-13(5-2)15(11-12)18-14(6-3)16(19)9-10-17(18)20/h7-11,19-20H,4-6H2,1-3H3
InChIKeyCHOMDRNBQKTNJG-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': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

4-(2,5-diethylphenyl)-5-ethylbenzene-1,2-diol
CID 101302822
4-(2,5-diethylphenyl)-6-ethylbenzene-1,2,3-triol
CID 101303330
4-(2,3-diethyl-6-hydroxyphenyl)benzene-1,3-diol
CID 101303229
3-(2,6-diethyl-3-hydroxyphenyl)benzene-1,2-diol
CID 101303216
3-(2,5-diethylphenyl)-5-ethylphenol
CID 101302482
3-(2,3,4-triethylphenyl)benzene-1,2,4-triol
CID 101303394
2-(2,4-diethylphenyl)-3,5-diethylphenol
CID 141260398
3-ethyl-2-(2-ethyl-3-hydroxyphenyl)phenol
CID 101302719
1,4-diethyl-2-(3-ethylphenyl)benzene
CID 102240202
ethane;4-ethyl-2-nitrosophenol
CID 177045182
2,3-diethyl-4-(3-ethylphenyl)phenol
CID 101302434
2-(2,4-diethyl-3-hydroxyphenyl)benzene-1,3-diol
CID 101303262

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-diethylphenyl)-3-ethylbenzene-1,4-diol?
The IUPAC name of 2-(2,5-diethylphenyl)-3-ethylbenzene-1,4-diol (CID 101302876) is 2-(2,5-diethylphenyl)-3-ethylbenzene-1,4-diol.
What is the SMILES notation for 2-(2,5-diethylphenyl)-3-ethylbenzene-1,4-diol?
The canonical SMILES for 2-(2,5-diethylphenyl)-3-ethylbenzene-1,4-diol is CCc1ccc(CC)c(-c2c(O)ccc(O)c2CC)c1.
What is the InChIKey of 2-(2,5-diethylphenyl)-3-ethylbenzene-1,4-diol?
The InChIKey is CHOMDRNBQKTNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-4-12-7-8-13(5-2)15(11-12)18-14(6-3)16(19)9-10-17(18)20/h7-11,19-20H,4-6H2,1-3H3.
What are the key properties of 2-(2,5-diethylphenyl)-3-ethylbenzene-1,4-diol?
2-(2,5-diethylphenyl)-3-ethylbenzene-1,4-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 2-(2,5-diethylphenyl)-3-ethylbenzene-1,4-diol is sourced from PubChem (CID 101302876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).