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

C14H14O3 — CID 101303033

IUPAC3-(5-ethyl-2-hydroxyphenyl)benzene-1,2-diol
SMILESCCc1ccc(O)c(-c2cccc(O)c2O)c1
InChIInChI=1S/C14H14O3/c1-2-9-6-7-12(15)11(8-9)10-4-3-5-13(16)14(10)17/h3-8,15-17H,2H2,1H3
InChIKeyXNEMRZUCCUYQIN-UHFFFAOYSA-N
MW230.26 g/mol
LogP3.03
Rot. Bonds2

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

3-(5-ethyl-2-hydroxyphenyl)benzene-1,2-diol (PubChem CID 101303033) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is 3-(5-ethyl-2-hydroxyphenyl)benzene-1,2-diol.

Molecular Properties

Compound Name3-(5-ethyl-2-hydroxyphenyl)benzene-1,2-diol
PubChem CID101303033
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Name3-(5-ethyl-2-hydroxyphenyl)benzene-1,2-diol
SMILESCCc1ccc(O)c(-c2cccc(O)c2O)c1
InChIInChI=1S/C14H14O3/c1-2-9-6-7-12(15)11(8-9)10-4-3-5-13(16)14(10)17/h3-8,15-17H,2H2,1H3
InChIKeyXNEMRZUCCUYQIN-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

5-ethyl-3-(2-hydroxyphenyl)benzene-1,2-diol
CID 101302987
3-(3-ethyl-5-hydroxyphenyl)benzene-1,2-diol
CID 101303037
4-ethyl-2-[6-[6-(5-ethyl-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;manganese(3+);trichloride
CID 158793736
4-ethyl-2-(2-hydroxyphenyl)phenol;phenoxyboronic acid
CID 57367536
2,6-ditert-butyl-4-(5-ethyl-2-hydroxyphenyl)phenol
CID 54333604
acetic acid;4-ethyl-2-[6-[6-(5-ethyl-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;manganese
CID 135673421
4-(2,3-dihydroxyphenyl)benzene-1,2,3-triol
CID 87697352
3-[2-(2-hydroxyphenyl)phenyl]benzene-1,2-diol
CID 71046395
4-ethyl-2-[2-[(E)-2-pyridin-2-ylethenyl]phenyl]phenol
CID 175530208
3-[2-(2,3-dihydroxyphenyl)phenyl]benzene-1,2-diol
CID 59253869
3-ethylphenol;4-ethylphenol
CID 70541430
4-(2,4,5-triethylphenyl)benzene-1,2,3-triol
CID 101303385

Frequently Asked Questions

What is the IUPAC name of 3-(5-ethyl-2-hydroxyphenyl)benzene-1,2-diol?
The IUPAC name of 3-(5-ethyl-2-hydroxyphenyl)benzene-1,2-diol (CID 101303033) is 3-(5-ethyl-2-hydroxyphenyl)benzene-1,2-diol.
What is the SMILES notation for 3-(5-ethyl-2-hydroxyphenyl)benzene-1,2-diol?
The canonical SMILES for 3-(5-ethyl-2-hydroxyphenyl)benzene-1,2-diol is CCc1ccc(O)c(-c2cccc(O)c2O)c1.
What is the InChIKey of 3-(5-ethyl-2-hydroxyphenyl)benzene-1,2-diol?
The InChIKey is XNEMRZUCCUYQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3/c1-2-9-6-7-12(15)11(8-9)10-4-3-5-13(16)14(10)17/h3-8,15-17H,2H2,1H3.
What are the key properties of 3-(5-ethyl-2-hydroxyphenyl)benzene-1,2-diol?
3-(5-ethyl-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 3-(5-ethyl-2-hydroxyphenyl)benzene-1,2-diol is sourced from PubChem (CID 101303033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).