2-(2,3,4-triethylphenyl)benzene-1,4-diol

C18H22O2 — CID 101302922

IUPAC2-(2,3,4-triethylphenyl)benzene-1,4-diol
SMILESCCc1ccc(-c2cc(O)ccc2O)c(CC)c1CC
InChIInChI=1S/C18H22O2/c1-4-12-7-9-16(15(6-3)14(12)5-2)17-11-13(19)8-10-18(17)20/h7-11,19-20H,4-6H2,1-3H3
InChIKeyGIGBIHMQNULPRX-UHFFFAOYSA-N
MW270.37 g/mol
LogP4.45
Rot. Bonds4

About 2-(2,3,4-triethylphenyl)benzene-1,4-diol

2-(2,3,4-triethylphenyl)benzene-1,4-diol (PubChem CID 101302922) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-(2,3,4-triethylphenyl)benzene-1,4-diol.

Molecular Properties

Compound Name2-(2,3,4-triethylphenyl)benzene-1,4-diol
PubChem CID101302922
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name2-(2,3,4-triethylphenyl)benzene-1,4-diol
SMILESCCc1ccc(-c2cc(O)ccc2O)c(CC)c1CC
InChIInChI=1S/C18H22O2/c1-4-12-7-9-16(15(6-3)14(12)5-2)17-11-13(19)8-10-18(17)20/h7-11,19-20H,4-6H2,1-3H3
InChIKeyGIGBIHMQNULPRX-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-(2,3-diethyl-6-hydroxyphenyl)benzene-1,3-diol
CID 101303229
4-(2,3,4-triethylphenyl)phenol
CID 101302516
3-(2,3,4-triethylphenyl)benzene-1,2,4-triol
CID 101303394
4-(2,3,4-triethyl-6-hydroxyphenyl)benzene-1,3-diol
CID 101303449
4-ethylbenzene-1,3-diol
CID 17927
2,3-diethyl-4-(2-ethylphenyl)phenol
CID 101302433
4-ethylbenzene-1,3-diol;methoxymethane
CID 70585876
4-(2,4-dihydroxyphenyl)-5-ethylbenzene-1,3-diol
CID 142760794
4-(2,4-diethyl-5-hydroxyphenyl)benzene-1,3-diol
CID 101303234
3,4-diethyl-5-(4-hydroxyphenyl)phenol
CID 101302689
2,6-diethyl-3-(3-hydroxyphenyl)phenol
CID 101302678
CID 156645550
CID 156645550

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4-triethylphenyl)benzene-1,4-diol?
The IUPAC name of 2-(2,3,4-triethylphenyl)benzene-1,4-diol (CID 101302922) is 2-(2,3,4-triethylphenyl)benzene-1,4-diol.
What is the SMILES notation for 2-(2,3,4-triethylphenyl)benzene-1,4-diol?
The canonical SMILES for 2-(2,3,4-triethylphenyl)benzene-1,4-diol is CCc1ccc(-c2cc(O)ccc2O)c(CC)c1CC.
What is the InChIKey of 2-(2,3,4-triethylphenyl)benzene-1,4-diol?
The InChIKey is GIGBIHMQNULPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-4-12-7-9-16(15(6-3)14(12)5-2)17-11-13(19)8-10-18(17)20/h7-11,19-20H,4-6H2,1-3H3.
What are the key properties of 2-(2,3,4-triethylphenyl)benzene-1,4-diol?
2-(2,3,4-triethylphenyl)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-(2,3,4-triethylphenyl)benzene-1,4-diol is sourced from PubChem (CID 101302922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).