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

C9H12O2 — CID 12815574

IUPAC5-ethyl-4-methylbenzene-1,3-diol
SMILESCCc1cc(O)cc(O)c1C
InChIInChI=1S/C9H12O2/c1-3-7-4-8(10)5-9(11)6(7)2/h4-5,10-11H,3H2,1-2H3
InChIKeyGSMQBBTWVGEFGD-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.97
Rot. Bonds1

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

5-ethyl-4-methylbenzene-1,3-diol (PubChem CID 12815574) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 5-ethyl-4-methylbenzene-1,3-diol.

Molecular Properties

Compound Name5-ethyl-4-methylbenzene-1,3-diol
PubChem CID12815574
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name5-ethyl-4-methylbenzene-1,3-diol
SMILESCCc1cc(O)cc(O)c1C
InChIInChI=1S/C9H12O2/c1-3-7-4-8(10)5-9(11)6(7)2/h4-5,10-11H,3H2,1-2H3
InChIKeyGSMQBBTWVGEFGD-UHFFFAOYSA-N
XLogP1.97
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methylbenzene-1,3-diol?
The IUPAC name of 5-ethyl-4-methylbenzene-1,3-diol (CID 12815574) is 5-ethyl-4-methylbenzene-1,3-diol.
What is the SMILES notation for 5-ethyl-4-methylbenzene-1,3-diol?
The canonical SMILES for 5-ethyl-4-methylbenzene-1,3-diol is CCc1cc(O)cc(O)c1C.
What is the InChIKey of 5-ethyl-4-methylbenzene-1,3-diol?
The InChIKey is GSMQBBTWVGEFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-3-7-4-8(10)5-9(11)6(7)2/h4-5,10-11H,3H2,1-2H3.
What are the key properties of 5-ethyl-4-methylbenzene-1,3-diol?
5-ethyl-4-methylbenzene-1,3-diol has a molecular weight of 152.19 g/mol, XLogP of 1.97, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methylbenzene-1,3-diol is sourced from PubChem (CID 12815574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).