4-(2,4-dihydroxyphenyl)-5-ethylbenzene-1,3-diol

C14H14O4 — CID 142760794

IUPAC4-(2,4-dihydroxyphenyl)-5-ethylbenzene-1,3-diol
SMILESCCc1cc(O)cc(O)c1-c1ccc(O)cc1O
InChIInChI=1S/C14H14O4/c1-2-8-5-10(16)7-13(18)14(8)11-4-3-9(15)6-12(11)17/h3-7,15-18H,2H2,1H3
InChIKeyAXTGIOSZSDVMFS-UHFFFAOYSA-N
MW246.26 g/mol
LogP2.74
Rot. Bonds2

About 4-(2,4-dihydroxyphenyl)-5-ethylbenzene-1,3-diol

4-(2,4-dihydroxyphenyl)-5-ethylbenzene-1,3-diol (PubChem CID 142760794) has the molecular formula C14H14O4 and a molecular weight of 246.26 g/mol. Its IUPAC name is 4-(2,4-dihydroxyphenyl)-5-ethylbenzene-1,3-diol.

Molecular Properties

Compound Name4-(2,4-dihydroxyphenyl)-5-ethylbenzene-1,3-diol
PubChem CID142760794
Molecular FormulaC14H14O4
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Name4-(2,4-dihydroxyphenyl)-5-ethylbenzene-1,3-diol
SMILESCCc1cc(O)cc(O)c1-c1ccc(O)cc1O
InChIInChI=1S/C14H14O4/c1-2-8-5-10(16)7-13(18)14(8)11-4-3-9(15)6-12(11)17/h3-7,15-18H,2H2,1H3
InChIKeyAXTGIOSZSDVMFS-UHFFFAOYSA-N
XLogP2.74
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 52.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,4-diethyl-6-hydroxyphenyl)benzene-1,3-diol
CID 101303228
4-(2,3,4-triethyl-6-hydroxyphenyl)benzene-1,3-diol
CID 101303449
4-(2,3-diethyl-6-hydroxyphenyl)benzene-1,3-diol
CID 101303229
3-ethyl-2-(2-ethyl-4-hydroxyphenyl)phenol
CID 101302728
4-ethylbenzene-1,3-diol
CID 17927
4-(2,4-diethyl-5-hydroxyphenyl)benzene-1,3-diol
CID 101303234
2-(2,4-diethylphenyl)-3,5-diethylphenol
CID 141260398
4-ethylbenzene-1,3-diol;methoxymethane
CID 70585876
5-ethyl-4-methylbenzene-1,3-diol
CID 12815574
2-(2,3,4-triethylphenyl)benzene-1,4-diol
CID 101302922
4-(2,3-dimethylphenyl)-3-ethylphenol
CID 67060116
3,4-diethyl-5-(4-hydroxyphenyl)phenol
CID 101302689

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dihydroxyphenyl)-5-ethylbenzene-1,3-diol?
The IUPAC name of 4-(2,4-dihydroxyphenyl)-5-ethylbenzene-1,3-diol (CID 142760794) is 4-(2,4-dihydroxyphenyl)-5-ethylbenzene-1,3-diol.
What is the SMILES notation for 4-(2,4-dihydroxyphenyl)-5-ethylbenzene-1,3-diol?
The canonical SMILES for 4-(2,4-dihydroxyphenyl)-5-ethylbenzene-1,3-diol is CCc1cc(O)cc(O)c1-c1ccc(O)cc1O.
What is the InChIKey of 4-(2,4-dihydroxyphenyl)-5-ethylbenzene-1,3-diol?
The InChIKey is AXTGIOSZSDVMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4/c1-2-8-5-10(16)7-13(18)14(8)11-4-3-9(15)6-12(11)17/h3-7,15-18H,2H2,1H3.
What are the key properties of 4-(2,4-dihydroxyphenyl)-5-ethylbenzene-1,3-diol?
4-(2,4-dihydroxyphenyl)-5-ethylbenzene-1,3-diol has a molecular weight of 246.26 g/mol, XLogP of 2.74, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dihydroxyphenyl)-5-ethylbenzene-1,3-diol is sourced from PubChem (CID 142760794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).