Orcinol

C7H8O2 — CID 10436

IUPAC5-methylbenzene-1,3-diol
SMILESCC1=CC(=CC(=C1)O)O
InChIInChI=1S/C7H8O2/c1-5-2-6(8)4-7(9)3-5/h2-4,8-9H,1H3
InChIKeyOIPPWFOQEKKFEE-UHFFFAOYSA-N
MW124.14 g/mol
LogP1.60
Rot. Bonds

About Orcinol

Orcinol (PubChem CID 10436) has the molecular formula C7H8O2 and a molecular weight of 124.14 g/mol. Its IUPAC name is 5-methylbenzene-1,3-diol.

Molecular Properties

Compound NameOrcinol
PubChem CID10436
Molecular FormulaC7H8O2
Molecular Weight124.14 g/mol
Exact Mass124.05
IUPAC Name5-methylbenzene-1,3-diol
SMILESCC1=CC(=CC(=C1)O)O
InChIInChI=1S/C7H8O2/c1-5-2-6(8)4-7(9)3-5/h2-4,8-9H,1H3
InChIKeyOIPPWFOQEKKFEE-UHFFFAOYSA-N
XLogP1.60
TPSA40.50 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity82

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of Orcinol?
The IUPAC name of Orcinol (CID 10436) is 5-methylbenzene-1,3-diol.
What is the SMILES notation for Orcinol?
The canonical SMILES for Orcinol is CC1=CC(=CC(=C1)O)O.
What is the InChIKey of Orcinol?
The InChIKey is OIPPWFOQEKKFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2/c1-5-2-6(8)4-7(9)3-5/h2-4,8-9H,1H3.
What are the key properties of Orcinol?
Orcinol has a molecular weight of 124.14 g/mol, XLogP of 1.60, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Orcinol is sourced from PubChem (CID 10436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).