3,5-diethyl-4-(2-ethylphenyl)benzene-1,2-diol

C18H22O2 — CID 101302759

IUPAC3,5-diethyl-4-(2-ethylphenyl)benzene-1,2-diol
SMILESCCc1ccccc1-c1c(CC)cc(O)c(O)c1CC
InChIInChI=1S/C18H22O2/c1-4-12-9-7-8-10-15(12)17-13(5-2)11-16(19)18(20)14(17)6-3/h7-11,19-20H,4-6H2,1-3H3
InChIKeyAUXKXCCMBLUFNM-UHFFFAOYSA-N
MW270.37 g/mol
LogP4.45
Rot. Bonds4

About 3,5-diethyl-4-(2-ethylphenyl)benzene-1,2-diol

3,5-diethyl-4-(2-ethylphenyl)benzene-1,2-diol (PubChem CID 101302759) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 3,5-diethyl-4-(2-ethylphenyl)benzene-1,2-diol.

Molecular Properties

Compound Name3,5-diethyl-4-(2-ethylphenyl)benzene-1,2-diol
PubChem CID101302759
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name3,5-diethyl-4-(2-ethylphenyl)benzene-1,2-diol
SMILESCCc1ccccc1-c1c(CC)cc(O)c(O)c1CC
InChIInChI=1S/C18H22O2/c1-4-12-9-7-8-10-15(12)17-13(5-2)11-16(19)18(20)14(17)6-3/h7-11,19-20H,4-6H2,1-3H3
InChIKeyAUXKXCCMBLUFNM-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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Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-4-(2-ethylphenyl)benzene-1,2-diol?
The IUPAC name of 3,5-diethyl-4-(2-ethylphenyl)benzene-1,2-diol (CID 101302759) is 3,5-diethyl-4-(2-ethylphenyl)benzene-1,2-diol.
What is the SMILES notation for 3,5-diethyl-4-(2-ethylphenyl)benzene-1,2-diol?
The canonical SMILES for 3,5-diethyl-4-(2-ethylphenyl)benzene-1,2-diol is CCc1ccccc1-c1c(CC)cc(O)c(O)c1CC.
What is the InChIKey of 3,5-diethyl-4-(2-ethylphenyl)benzene-1,2-diol?
The InChIKey is AUXKXCCMBLUFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-4-12-9-7-8-10-15(12)17-13(5-2)11-16(19)18(20)14(17)6-3/h7-11,19-20H,4-6H2,1-3H3.
What are the key properties of 3,5-diethyl-4-(2-ethylphenyl)benzene-1,2-diol?
3,5-diethyl-4-(2-ethylphenyl)benzene-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 3,5-diethyl-4-(2-ethylphenyl)benzene-1,2-diol is sourced from PubChem (CID 101302759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).