2-methoxy-3,5-dimethylbenzene-1,4-diol;2-methoxy-3,5,6-trimethylbenzene-1,4-diol

C19H26O6 — CID 19817256

IUPAC2-methoxy-3,5-dimethylbenzene-1,4-diol;2-methoxy-3,5,6-trimethylbenzene-1,4-diol
SMILESCOc1c(C)c(O)c(C)c(C)c1O.COc1c(O)cc(C)c(O)c1C
InChIInChI=1S/C10H14O3.C9H12O3/c1-5-6(2)9(12)10(13-4)7(3)8(5)11;1-5-4-7(10)9(12-3)6(2)8(5)11/h11-12H,1-4H3;4,10-11H,1-3H3
InChIKeyRXUMJJZUFNGLFK-UHFFFAOYSA-N
MW350.41 g/mol
LogP3.75
Rot. Bonds2

About 2-methoxy-3,5-dimethylbenzene-1,4-diol;2-methoxy-3,5,6-trimethylbenzene-1,4-diol

2-methoxy-3,5-dimethylbenzene-1,4-diol;2-methoxy-3,5,6-trimethylbenzene-1,4-diol (PubChem CID 19817256) has the molecular formula C19H26O6 and a molecular weight of 350.41 g/mol. Its IUPAC name is 2-methoxy-3,5-dimethylbenzene-1,4-diol;2-methoxy-3,5,6-trimethylbenzene-1,4-diol.

Molecular Properties

Compound Name2-methoxy-3,5-dimethylbenzene-1,4-diol;2-methoxy-3,5,6-trimethylbenzene-1,4-diol
PubChem CID19817256
Molecular FormulaC19H26O6
Molecular Weight350.41 g/mol
Exact Mass350.17
IUPAC Name2-methoxy-3,5-dimethylbenzene-1,4-diol;2-methoxy-3,5,6-trimethylbenzene-1,4-diol
SMILESCOc1c(C)c(O)c(C)c(C)c1O.COc1c(O)cc(C)c(O)c1C
InChIInChI=1S/C10H14O3.C9H12O3/c1-5-6(2)9(12)10(13-4)7(3)8(5)11;1-5-4-7(10)9(12-3)6(2)8(5)11/h11-12H,1-4H3;4,10-11H,1-3H3
InChIKeyRXUMJJZUFNGLFK-UHFFFAOYSA-N
XLogP3.75
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 53.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3,5-dimethylbenzene-1,4-diol;2-methoxy-3,5,6-trimethylbenzene-1,4-diol?
The IUPAC name of 2-methoxy-3,5-dimethylbenzene-1,4-diol;2-methoxy-3,5,6-trimethylbenzene-1,4-diol (CID 19817256) is 2-methoxy-3,5-dimethylbenzene-1,4-diol;2-methoxy-3,5,6-trimethylbenzene-1,4-diol.
What is the SMILES notation for 2-methoxy-3,5-dimethylbenzene-1,4-diol;2-methoxy-3,5,6-trimethylbenzene-1,4-diol?
The canonical SMILES for 2-methoxy-3,5-dimethylbenzene-1,4-diol;2-methoxy-3,5,6-trimethylbenzene-1,4-diol is COc1c(C)c(O)c(C)c(C)c1O.COc1c(O)cc(C)c(O)c1C.
What is the InChIKey of 2-methoxy-3,5-dimethylbenzene-1,4-diol;2-methoxy-3,5,6-trimethylbenzene-1,4-diol?
The InChIKey is RXUMJJZUFNGLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3.C9H12O3/c1-5-6(2)9(12)10(13-4)7(3)8(5)11;1-5-4-7(10)9(12-3)6(2)8(5)11/h11-12H,1-4H3;4,10-11H,1-3H3.
What are the key properties of 2-methoxy-3,5-dimethylbenzene-1,4-diol;2-methoxy-3,5,6-trimethylbenzene-1,4-diol?
2-methoxy-3,5-dimethylbenzene-1,4-diol;2-methoxy-3,5,6-trimethylbenzene-1,4-diol has a molecular weight of 350.41 g/mol, XLogP of 3.75, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3,5-dimethylbenzene-1,4-diol;2-methoxy-3,5,6-trimethylbenzene-1,4-diol is sourced from PubChem (CID 19817256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).