5-ethoxy-4-methylbenzene-1,3-diol

C9H12O3 — CID 130032613

IUPAC5-ethoxy-4-methylbenzene-1,3-diol
SMILESCCOc1cc(O)cc(O)c1C
InChIInChI=1S/C9H12O3/c1-3-12-9-5-7(10)4-8(11)6(9)2/h4-5,10-11H,3H2,1-2H3
InChIKeyLYSIZMPEWBMEPL-UHFFFAOYSA-N
MW168.19 g/mol
LogP1.80
Rot. Bonds2

About 5-ethoxy-4-methylbenzene-1,3-diol

5-ethoxy-4-methylbenzene-1,3-diol (PubChem CID 130032613) has the molecular formula C9H12O3 and a molecular weight of 168.19 g/mol. Its IUPAC name is 5-ethoxy-4-methylbenzene-1,3-diol.

Molecular Properties

Compound Name5-ethoxy-4-methylbenzene-1,3-diol
PubChem CID130032613
Molecular FormulaC9H12O3
Molecular Weight168.19 g/mol
Exact Mass168.08
IUPAC Name5-ethoxy-4-methylbenzene-1,3-diol
SMILESCCOc1cc(O)cc(O)c1C
InChIInChI=1S/C9H12O3/c1-3-12-9-5-7(10)4-8(11)6(9)2/h4-5,10-11H,3H2,1-2H3
InChIKeyLYSIZMPEWBMEPL-UHFFFAOYSA-N
XLogP1.80
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(cyclohexylmethoxy)-4-methylbenzene-1,3-diol
CID 175419611
3,4,5-triethoxyphenol
CID 19754898
2-ethoxy-4,6-dihydroxybenzaldehyde
CID 130024854
2-ethoxy-4,5-dimethylphenol
CID 82053903
5-ethyl-4-methylbenzene-1,3-diol
CID 12815574
4-ethoxy-2,6-diethyl-3-methylphenol
CID 162375052
3-butoxy-2,5-dimethylphenol
CID 139788128
3-chloro-5-ethoxy-4-methoxyphenol
CID 121210329
2,4-diethoxy-3-methylphenol
CID 11030728
3-ethoxy-2-fluoro-5-hydroxybenzonitrile
CID 18444762
2-ethoxy-4-fluoro-5-methylphenol
CID 125115951
5-chloro-4-ethoxy-2-methylphenol
CID 82490779

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-4-methylbenzene-1,3-diol?
The IUPAC name of 5-ethoxy-4-methylbenzene-1,3-diol (CID 130032613) is 5-ethoxy-4-methylbenzene-1,3-diol.
What is the SMILES notation for 5-ethoxy-4-methylbenzene-1,3-diol?
The canonical SMILES for 5-ethoxy-4-methylbenzene-1,3-diol is CCOc1cc(O)cc(O)c1C.
What is the InChIKey of 5-ethoxy-4-methylbenzene-1,3-diol?
The InChIKey is LYSIZMPEWBMEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3/c1-3-12-9-5-7(10)4-8(11)6(9)2/h4-5,10-11H,3H2,1-2H3.
What are the key properties of 5-ethoxy-4-methylbenzene-1,3-diol?
5-ethoxy-4-methylbenzene-1,3-diol has a molecular weight of 168.19 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-4-methylbenzene-1,3-diol is sourced from PubChem (CID 130032613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).