3-ethylbenzene-1,2-diol;3-methylbenzene-1,2-diol

C15H18O4 — CID 158712110

IUPAC3-ethylbenzene-1,2-diol;3-methylbenzene-1,2-diol
SMILESCCc1cccc(O)c1O.Cc1cccc(O)c1O
InChIInChI=1S/C8H10O2.C7H8O2/c1-2-6-4-3-5-7(9)8(6)10;1-5-3-2-4-6(8)7(5)9/h3-5,9-10H,2H2,1H3;2-4,8-9H,1H3
InChIKeyIIVYFVUNMNHRKS-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.07
Rot. Bonds1

About 3-ethylbenzene-1,2-diol;3-methylbenzene-1,2-diol

3-ethylbenzene-1,2-diol;3-methylbenzene-1,2-diol (PubChem CID 158712110) has the molecular formula C15H18O4 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-ethylbenzene-1,2-diol;3-methylbenzene-1,2-diol.

Molecular Properties

Compound Name3-ethylbenzene-1,2-diol;3-methylbenzene-1,2-diol
PubChem CID158712110
Molecular FormulaC15H18O4
Molecular Weight262.31 g/mol
Exact Mass262.12
IUPAC Name3-ethylbenzene-1,2-diol;3-methylbenzene-1,2-diol
SMILESCCc1cccc(O)c1O.Cc1cccc(O)c1O
InChIInChI=1S/C8H10O2.C7H8O2/c1-2-6-4-3-5-7(9)8(6)10;1-5-3-2-4-6(8)7(5)9/h3-5,9-10H,2H2,1H3;2-4,8-9H,1H3
InChIKeyIIVYFVUNMNHRKS-UHFFFAOYSA-N
XLogP3.07
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-methylbenzene-1,2-diol
CID 135381405
butane-2,2-diol;3-methylbenzene-1,2-diol
CID 174976791
2-ethyl-6-methylphenol;5-ethyl-2-methylphenol
CID 158425788
sodium;3-methylbenzene-1,2-diol;chloride
CID 174915760
3-methylbenzene-1,2-diol;oxalic acid
CID 174606670
bis(2,6-diethylphenol);1,4-xylene
CID 160641052
2-(2,2-dimethylpropyl)-6-methylphenol
CID 22013258
2-[(2-hydroxy-3-methylphenyl)methyl]-6-methylphenol
CID 164967326
2-ethyl-6-(3-ethyl-2-hydroxyphenyl)phenol
CID 14783606
2-[[2-hydroxy-3-[(2-hydroxy-3-methylphenyl)methyl]phenyl]methyl]-6-methylphenol
CID 20768179
butane;2,6-dimethylphenol;ethane
CID 143018459
3-[16-(2-hydroxy-3-methylphenyl)hexadeca-5,8-dienyl]benzene-1,2-diol
CID 162927322

Frequently Asked Questions

What is the IUPAC name of 3-ethylbenzene-1,2-diol;3-methylbenzene-1,2-diol?
The IUPAC name of 3-ethylbenzene-1,2-diol;3-methylbenzene-1,2-diol (CID 158712110) is 3-ethylbenzene-1,2-diol;3-methylbenzene-1,2-diol.
What is the SMILES notation for 3-ethylbenzene-1,2-diol;3-methylbenzene-1,2-diol?
The canonical SMILES for 3-ethylbenzene-1,2-diol;3-methylbenzene-1,2-diol is CCc1cccc(O)c1O.Cc1cccc(O)c1O.
What is the InChIKey of 3-ethylbenzene-1,2-diol;3-methylbenzene-1,2-diol?
The InChIKey is IIVYFVUNMNHRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2.C7H8O2/c1-2-6-4-3-5-7(9)8(6)10;1-5-3-2-4-6(8)7(5)9/h3-5,9-10H,2H2,1H3;2-4,8-9H,1H3.
What are the key properties of 3-ethylbenzene-1,2-diol;3-methylbenzene-1,2-diol?
3-ethylbenzene-1,2-diol;3-methylbenzene-1,2-diol has a molecular weight of 262.31 g/mol, XLogP of 3.07, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylbenzene-1,2-diol;3-methylbenzene-1,2-diol is sourced from PubChem (CID 158712110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).