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

C18H22O2 — CID 101302795

IUPAC2,3-diethyl-5-(2-ethylphenyl)benzene-1,4-diol
SMILESCCc1ccccc1-c1cc(O)c(CC)c(CC)c1O
InChIInChI=1S/C18H22O2/c1-4-12-9-7-8-10-15(12)16-11-17(19)13(5-2)14(6-3)18(16)20/h7-11,19-20H,4-6H2,1-3H3
InChIKeyBSPMXJRUSVLRCG-UHFFFAOYSA-N
MW270.37 g/mol
LogP4.45
Rot. Bonds4

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

2,3-diethyl-5-(2-ethylphenyl)benzene-1,4-diol (PubChem CID 101302795) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2,3-diethyl-5-(2-ethylphenyl)benzene-1,4-diol.

Molecular Properties

Compound Name2,3-diethyl-5-(2-ethylphenyl)benzene-1,4-diol
PubChem CID101302795
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name2,3-diethyl-5-(2-ethylphenyl)benzene-1,4-diol
SMILESCCc1ccccc1-c1cc(O)c(CC)c(CC)c1O
InChIInChI=1S/C18H22O2/c1-4-12-9-7-8-10-15(12)16-11-17(19)13(5-2)14(6-3)18(16)20/h7-11,19-20H,4-6H2,1-3H3
InChIKeyBSPMXJRUSVLRCG-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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Frequently Asked Questions

What is the IUPAC name of 2,3-diethyl-5-(2-ethylphenyl)benzene-1,4-diol?
The IUPAC name of 2,3-diethyl-5-(2-ethylphenyl)benzene-1,4-diol (CID 101302795) is 2,3-diethyl-5-(2-ethylphenyl)benzene-1,4-diol.
What is the SMILES notation for 2,3-diethyl-5-(2-ethylphenyl)benzene-1,4-diol?
The canonical SMILES for 2,3-diethyl-5-(2-ethylphenyl)benzene-1,4-diol is CCc1ccccc1-c1cc(O)c(CC)c(CC)c1O.
What is the InChIKey of 2,3-diethyl-5-(2-ethylphenyl)benzene-1,4-diol?
The InChIKey is BSPMXJRUSVLRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-4-12-9-7-8-10-15(12)16-11-17(19)13(5-2)14(6-3)18(16)20/h7-11,19-20H,4-6H2,1-3H3.
What are the key properties of 2,3-diethyl-5-(2-ethylphenyl)benzene-1,4-diol?
2,3-diethyl-5-(2-ethylphenyl)benzene-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 2,3-diethyl-5-(2-ethylphenyl)benzene-1,4-diol is sourced from PubChem (CID 101302795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).