3-(2,6-diethyl-3-hydroxyphenyl)benzene-1,2-diol

C16H18O3 — CID 101303216

IUPAC3-(2,6-diethyl-3-hydroxyphenyl)benzene-1,2-diol
SMILESCCc1ccc(O)c(CC)c1-c1cccc(O)c1O
InChIInChI=1S/C16H18O3/c1-3-10-8-9-13(17)11(4-2)15(10)12-6-5-7-14(18)16(12)19/h5-9,17-19H,3-4H2,1-2H3
InChIKeyYFLLEOKJRMLZPG-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.60
Rot. Bonds3

About 3-(2,6-diethyl-3-hydroxyphenyl)benzene-1,2-diol

3-(2,6-diethyl-3-hydroxyphenyl)benzene-1,2-diol (PubChem CID 101303216) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-(2,6-diethyl-3-hydroxyphenyl)benzene-1,2-diol.

Molecular Properties

Compound Name3-(2,6-diethyl-3-hydroxyphenyl)benzene-1,2-diol
PubChem CID101303216
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Name3-(2,6-diethyl-3-hydroxyphenyl)benzene-1,2-diol
SMILESCCc1ccc(O)c(CC)c1-c1cccc(O)c1O
InChIInChI=1S/C16H18O3/c1-3-10-8-9-13(17)11(4-2)15(10)12-6-5-7-14(18)16(12)19/h5-9,17-19H,3-4H2,1-2H3
InChIKeyYFLLEOKJRMLZPG-UHFFFAOYSA-N
XLogP3.60
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-2-(2-ethyl-3-hydroxyphenyl)phenol
CID 101302719
3-(3,4-diethylphenyl)benzene-1,2-diol
CID 101302625
2-(2,3-diethylphenyl)-3-ethylphenol
CID 101302469
2-(2,4-diethyl-3-hydroxyphenyl)benzene-1,3-diol
CID 101303262
3-(2,3,4-triethylphenyl)benzene-1,2,4-triol
CID 101303394
2-(2,5-diethylphenyl)-3-ethylbenzene-1,4-diol
CID 101302876
2,3-diethyl-4-(2-ethylphenyl)phenol
CID 101302433
3-(2,3-dihydroxyphenyl)-2-ethylbenzoic acid
CID 90117992
3,5-diethyl-4-(2-ethylphenyl)benzene-1,2-diol
CID 101302759
4-ethyl-3-(3-ethylphenyl)benzene-1,2-diol
CID 101302577
2-ethyl-6-(3-ethyl-2-hydroxyphenyl)phenol
CID 14783606
4-(2,3-dihydroxyphenyl)benzene-1,2,3-triol
CID 87697352

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-diethyl-3-hydroxyphenyl)benzene-1,2-diol?
The IUPAC name of 3-(2,6-diethyl-3-hydroxyphenyl)benzene-1,2-diol (CID 101303216) is 3-(2,6-diethyl-3-hydroxyphenyl)benzene-1,2-diol.
What is the SMILES notation for 3-(2,6-diethyl-3-hydroxyphenyl)benzene-1,2-diol?
The canonical SMILES for 3-(2,6-diethyl-3-hydroxyphenyl)benzene-1,2-diol is CCc1ccc(O)c(CC)c1-c1cccc(O)c1O.
What is the InChIKey of 3-(2,6-diethyl-3-hydroxyphenyl)benzene-1,2-diol?
The InChIKey is YFLLEOKJRMLZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3/c1-3-10-8-9-13(17)11(4-2)15(10)12-6-5-7-14(18)16(12)19/h5-9,17-19H,3-4H2,1-2H3.
What are the key properties of 3-(2,6-diethyl-3-hydroxyphenyl)benzene-1,2-diol?
3-(2,6-diethyl-3-hydroxyphenyl)benzene-1,2-diol has a molecular weight of 258.32 g/mol, XLogP of 3.60, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-diethyl-3-hydroxyphenyl)benzene-1,2-diol is sourced from PubChem (CID 101303216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).