5-ethyl-3-(2-hydroxyphenyl)benzene-1,2-diol

C14H14O3 — CID 101302987

IUPAC5-ethyl-3-(2-hydroxyphenyl)benzene-1,2-diol
SMILESCCc1cc(O)c(O)c(-c2ccccc2O)c1
InChIInChI=1S/C14H14O3/c1-2-9-7-11(14(17)13(16)8-9)10-5-3-4-6-12(10)15/h3-8,15-17H,2H2,1H3
InChIKeyGSUBGWZTXRNHPU-UHFFFAOYSA-N
MW230.26 g/mol
LogP3.03
Rot. Bonds2

About 5-ethyl-3-(2-hydroxyphenyl)benzene-1,2-diol

5-ethyl-3-(2-hydroxyphenyl)benzene-1,2-diol (PubChem CID 101302987) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is 5-ethyl-3-(2-hydroxyphenyl)benzene-1,2-diol.

Molecular Properties

Compound Name5-ethyl-3-(2-hydroxyphenyl)benzene-1,2-diol
PubChem CID101302987
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Name5-ethyl-3-(2-hydroxyphenyl)benzene-1,2-diol
SMILESCCc1cc(O)c(O)c(-c2ccccc2O)c1
InChIInChI=1S/C14H14O3/c1-2-9-7-11(14(17)13(16)8-9)10-5-3-4-6-12(10)15/h3-8,15-17H,2H2,1H3
InChIKeyGSUBGWZTXRNHPU-UHFFFAOYSA-N
XLogP3.03
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 53.03
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-(5-ethyl-2-hydroxyphenyl)benzene-1,2-diol
CID 101303033
3-(3-ethyl-5-hydroxyphenyl)benzene-1,2-diol
CID 101303037
3-chloro-5-ethylbenzene-1,2-diol
CID 84654490
4-ethyl-2-(2-hydroxyphenyl)phenol;phenoxyboronic acid
CID 57367536
3-[2-(2-hydroxyphenyl)phenyl]benzene-1,2-diol
CID 71046395
2-[5-(2-aminoethyl)-2-methylphenyl]phenol
CID 115036237
4-hexyl-2-(2-hydroxyphenyl)phenol
CID 139699928
4-(2,5-diethylphenyl)-6-ethylbenzene-1,2,3-triol
CID 101303330
3-ethyl-1-hydroxy-10H-anthracen-9-one
CID 58923362
3-(3,4-diethylphenyl)benzene-1,2-diol
CID 101302625
4-[[4-hydroxy-3,5-bis(2-methylphenyl)phenyl]methyl]-2,6-bis(2-methylphenyl)phenol
CID 66780854
5-ethyl-2-(4-hydroxyphenyl)phenol
CID 101302542

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(2-hydroxyphenyl)benzene-1,2-diol?
The IUPAC name of 5-ethyl-3-(2-hydroxyphenyl)benzene-1,2-diol (CID 101302987) is 5-ethyl-3-(2-hydroxyphenyl)benzene-1,2-diol.
What is the SMILES notation for 5-ethyl-3-(2-hydroxyphenyl)benzene-1,2-diol?
The canonical SMILES for 5-ethyl-3-(2-hydroxyphenyl)benzene-1,2-diol is CCc1cc(O)c(O)c(-c2ccccc2O)c1.
What is the InChIKey of 5-ethyl-3-(2-hydroxyphenyl)benzene-1,2-diol?
The InChIKey is GSUBGWZTXRNHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3/c1-2-9-7-11(14(17)13(16)8-9)10-5-3-4-6-12(10)15/h3-8,15-17H,2H2,1H3.
What are the key properties of 5-ethyl-3-(2-hydroxyphenyl)benzene-1,2-diol?
5-ethyl-3-(2-hydroxyphenyl)benzene-1,2-diol has a molecular weight of 230.26 g/mol, XLogP of 3.03, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(2-hydroxyphenyl)benzene-1,2-diol is sourced from PubChem (CID 101302987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).