2-ethyl-6-(4-ethylphenyl)benzene-1,4-diol

C16H18O2 — CID 101302621

IUPAC2-ethyl-6-(4-ethylphenyl)benzene-1,4-diol
SMILESCCc1ccc(-c2cc(O)cc(CC)c2O)cc1
InChIInChI=1S/C16H18O2/c1-3-11-5-7-13(8-6-11)15-10-14(17)9-12(4-2)16(15)18/h5-10,17-18H,3-4H2,1-2H3
InChIKeyDJHUMEUYDVSFIL-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.89
Rot. Bonds3

About 2-ethyl-6-(4-ethylphenyl)benzene-1,4-diol

2-ethyl-6-(4-ethylphenyl)benzene-1,4-diol (PubChem CID 101302621) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-ethyl-6-(4-ethylphenyl)benzene-1,4-diol.

Molecular Properties

Compound Name2-ethyl-6-(4-ethylphenyl)benzene-1,4-diol
PubChem CID101302621
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name2-ethyl-6-(4-ethylphenyl)benzene-1,4-diol
SMILESCCc1ccc(-c2cc(O)cc(CC)c2O)cc1
InChIInChI=1S/C16H18O2/c1-3-11-5-7-13(8-6-11)15-10-14(17)9-12(4-2)16(15)18/h5-10,17-18H,3-4H2,1-2H3
InChIKeyDJHUMEUYDVSFIL-UHFFFAOYSA-N
XLogP3.89
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.89
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

2-ethyl-6-(4-ethylphenyl)phenol
CID 101302359
4,5-diethyl-2-(4-ethylphenyl)phenol
CID 101302408
3,4-diethyl-5-(4-hydroxyphenyl)phenol
CID 101302689
4-amino-3-(4-ethylphenyl)phenol
CID 172675036
2,4-diethyl-1-(4-ethylphenyl)benzene
CID 102240206
2-ethyl-1,4-bis(4-ethylphenyl)benzene
CID 157074789
4-(4-ethylphenyl)-3-methylphenol
CID 83130010
7-(4-ethylphenyl)-5-hydroxy-1,3-benzoxathiol-2-one
CID 4227267
5-ethyl-2-(4-hydroxyphenyl)phenol
CID 101302542
2-butyl-6-phenylbenzene-1,4-diol
CID 23109144
1-[2-(4-ethylphenyl)-6-hydroxyphenyl]propan-2-one
CID 174905893
3-(2,5-diethylphenyl)-5-ethylphenol
CID 101302482

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(4-ethylphenyl)benzene-1,4-diol?
The IUPAC name of 2-ethyl-6-(4-ethylphenyl)benzene-1,4-diol (CID 101302621) is 2-ethyl-6-(4-ethylphenyl)benzene-1,4-diol.
What is the SMILES notation for 2-ethyl-6-(4-ethylphenyl)benzene-1,4-diol?
The canonical SMILES for 2-ethyl-6-(4-ethylphenyl)benzene-1,4-diol is CCc1ccc(-c2cc(O)cc(CC)c2O)cc1.
What is the InChIKey of 2-ethyl-6-(4-ethylphenyl)benzene-1,4-diol?
The InChIKey is DJHUMEUYDVSFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2/c1-3-11-5-7-13(8-6-11)15-10-14(17)9-12(4-2)16(15)18/h5-10,17-18H,3-4H2,1-2H3.
What are the key properties of 2-ethyl-6-(4-ethylphenyl)benzene-1,4-diol?
2-ethyl-6-(4-ethylphenyl)benzene-1,4-diol has a molecular weight of 242.32 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(4-ethylphenyl)benzene-1,4-diol is sourced from PubChem (CID 101302621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).