4,5-diethyl-6-(4-ethylphenyl)benzene-1,3-diol

C18H22O2 — CID 101302782

IUPAC4,5-diethyl-6-(4-ethylphenyl)benzene-1,3-diol
SMILESCCc1ccc(-c2c(O)cc(O)c(CC)c2CC)cc1
InChIInChI=1S/C18H22O2/c1-4-12-7-9-13(10-8-12)18-15(6-3)14(5-2)16(19)11-17(18)20/h7-11,19-20H,4-6H2,1-3H3
InChIKeyXMPBWXFCBCTJLU-UHFFFAOYSA-N
MW270.37 g/mol
LogP4.45
Rot. Bonds4

About 4,5-diethyl-6-(4-ethylphenyl)benzene-1,3-diol

4,5-diethyl-6-(4-ethylphenyl)benzene-1,3-diol (PubChem CID 101302782) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 4,5-diethyl-6-(4-ethylphenyl)benzene-1,3-diol.

Molecular Properties

Compound Name4,5-diethyl-6-(4-ethylphenyl)benzene-1,3-diol
PubChem CID101302782
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name4,5-diethyl-6-(4-ethylphenyl)benzene-1,3-diol
SMILESCCc1ccc(-c2c(O)cc(O)c(CC)c2CC)cc1
InChIInChI=1S/C18H22O2/c1-4-12-7-9-13(10-8-12)18-15(6-3)14(5-2)16(19)11-17(18)20/h7-11,19-20H,4-6H2,1-3H3
InChIKeyXMPBWXFCBCTJLU-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

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Frequently Asked Questions

What is the IUPAC name of 4,5-diethyl-6-(4-ethylphenyl)benzene-1,3-diol?
The IUPAC name of 4,5-diethyl-6-(4-ethylphenyl)benzene-1,3-diol (CID 101302782) is 4,5-diethyl-6-(4-ethylphenyl)benzene-1,3-diol.
What is the SMILES notation for 4,5-diethyl-6-(4-ethylphenyl)benzene-1,3-diol?
The canonical SMILES for 4,5-diethyl-6-(4-ethylphenyl)benzene-1,3-diol is CCc1ccc(-c2c(O)cc(O)c(CC)c2CC)cc1.
What is the InChIKey of 4,5-diethyl-6-(4-ethylphenyl)benzene-1,3-diol?
The InChIKey is XMPBWXFCBCTJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-4-12-7-9-13(10-8-12)18-15(6-3)14(5-2)16(19)11-17(18)20/h7-11,19-20H,4-6H2,1-3H3.
What are the key properties of 4,5-diethyl-6-(4-ethylphenyl)benzene-1,3-diol?
4,5-diethyl-6-(4-ethylphenyl)benzene-1,3-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 4,5-diethyl-6-(4-ethylphenyl)benzene-1,3-diol is sourced from PubChem (CID 101302782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).