4-(2,3-diethyl-6-hydroxyphenyl)benzene-1,3-diol

C16H18O3 — CID 101303229

IUPAC4-(2,3-diethyl-6-hydroxyphenyl)benzene-1,3-diol
SMILESCCc1ccc(O)c(-c2ccc(O)cc2O)c1CC
InChIInChI=1S/C16H18O3/c1-3-10-5-8-14(18)16(12(10)4-2)13-7-6-11(17)9-15(13)19/h5-9,17-19H,3-4H2,1-2H3
InChIKeyWCZKBRUGPMWTRU-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.60
Rot. Bonds3

About 4-(2,3-diethyl-6-hydroxyphenyl)benzene-1,3-diol

4-(2,3-diethyl-6-hydroxyphenyl)benzene-1,3-diol (PubChem CID 101303229) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-(2,3-diethyl-6-hydroxyphenyl)benzene-1,3-diol.

Molecular Properties

Compound Name4-(2,3-diethyl-6-hydroxyphenyl)benzene-1,3-diol
PubChem CID101303229
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Name4-(2,3-diethyl-6-hydroxyphenyl)benzene-1,3-diol
SMILESCCc1ccc(O)c(-c2ccc(O)cc2O)c1CC
InChIInChI=1S/C16H18O3/c1-3-10-5-8-14(18)16(12(10)4-2)13-7-6-11(17)9-15(13)19/h5-9,17-19H,3-4H2,1-2H3
InChIKeyWCZKBRUGPMWTRU-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

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Related Compounds

2-(2,3,4-triethylphenyl)benzene-1,4-diol
CID 101302922
4-(2,3,4-triethyl-6-hydroxyphenyl)benzene-1,3-diol
CID 101303449
4-(2,4-dihydroxyphenyl)-5-ethylbenzene-1,3-diol
CID 142760794
4-ethylbenzene-1,3-diol
CID 17927
3-(2,3,4-triethylphenyl)benzene-1,2,4-triol
CID 101303394
4-(2,4-diethyl-6-hydroxyphenyl)benzene-1,3-diol
CID 101303228
3-ethyl-2-(2-ethyl-4-hydroxyphenyl)phenol
CID 101302728
4-ethylbenzene-1,3-diol;methoxymethane
CID 70585876
4-(2,3,4-triethylphenyl)phenol
CID 101302516
4-(2,4-diethyl-5-hydroxyphenyl)benzene-1,3-diol
CID 101303234
2-(2,5-diethylphenyl)-3-ethylbenzene-1,4-diol
CID 101302876
3-(2,3,6-triethylphenyl)phenol
CID 101302512

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-diethyl-6-hydroxyphenyl)benzene-1,3-diol?
The IUPAC name of 4-(2,3-diethyl-6-hydroxyphenyl)benzene-1,3-diol (CID 101303229) is 4-(2,3-diethyl-6-hydroxyphenyl)benzene-1,3-diol.
What is the SMILES notation for 4-(2,3-diethyl-6-hydroxyphenyl)benzene-1,3-diol?
The canonical SMILES for 4-(2,3-diethyl-6-hydroxyphenyl)benzene-1,3-diol is CCc1ccc(O)c(-c2ccc(O)cc2O)c1CC.
What is the InChIKey of 4-(2,3-diethyl-6-hydroxyphenyl)benzene-1,3-diol?
The InChIKey is WCZKBRUGPMWTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3/c1-3-10-5-8-14(18)16(12(10)4-2)13-7-6-11(17)9-15(13)19/h5-9,17-19H,3-4H2,1-2H3.
What are the key properties of 4-(2,3-diethyl-6-hydroxyphenyl)benzene-1,3-diol?
4-(2,3-diethyl-6-hydroxyphenyl)benzene-1,3-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 4-(2,3-diethyl-6-hydroxyphenyl)benzene-1,3-diol is sourced from PubChem (CID 101303229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).