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

C10H14O3 — CID 19817257

IUPAC2-methoxy-3,5,6-trimethylbenzene-1,4-diol
SMILESCOc1c(C)c(O)c(C)c(C)c1O
InChIInChI=1S/C10H14O3/c1-5-6(2)9(12)10(13-4)7(3)8(5)11/h11-12H,1-4H3
InChIKeyABIYDMCJAIFUAD-UHFFFAOYSA-N
MW182.22 g/mol
LogP2.03
Rot. Bonds1

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

2-methoxy-3,5,6-trimethylbenzene-1,4-diol (PubChem CID 19817257) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-methoxy-3,5,6-trimethylbenzene-1,4-diol.

Molecular Properties

Compound Name2-methoxy-3,5,6-trimethylbenzene-1,4-diol
PubChem CID19817257
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name2-methoxy-3,5,6-trimethylbenzene-1,4-diol
SMILESCOc1c(C)c(O)c(C)c(C)c1O
InChIInChI=1S/C10H14O3/c1-5-6(2)9(12)10(13-4)7(3)8(5)11/h11-12H,1-4H3
InChIKeyABIYDMCJAIFUAD-UHFFFAOYSA-N
XLogP2.03
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-2,5,6-trimethylbenzene-1,3-diol
CID 154393157
2-methoxy-4,6-dimethylbenzene-1,3,5-triol
CID 86718657
2-methoxy-3,5-dimethylbenzene-1,4-diol;2-methoxy-3,5,6-trimethylbenzene-1,4-diol
CID 19817256
2,4,6-trimethoxybenzene-1,3,5-triol
CID 102382483
(2,5-dihydroxy-3,6-dimethoxy-4-methylphenyl) acetate
CID 176684182
2-amino-4-(3-hydroxy-4-methoxy-2,5,6-trimethylphenyl)-3,5,6-trimethylphenol
CID 90747803
3-hydroxy-5-methoxy-2,4,6-trimethylbenzoic acid
CID 146683483
2-tert-butyl-5,6-dimethoxy-3-methylbenzene-1,4-diol
CID 59583902
2,5-dimethoxy-3-methylbenzene-1,4-diol
CID 118620662
2-hydroxy-3,6-dimethoxy-4,5-dimethylbenzaldehyde
CID 10798490
2,3-dimethoxy-5,6-dimethylphenol
CID 53405608
2-methoxy-3,5-dimethyl-6-[(E)-3-methylpent-2-enyl]benzene-1,4-diol
CID 58954650

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3,5,6-trimethylbenzene-1,4-diol?
The IUPAC name of 2-methoxy-3,5,6-trimethylbenzene-1,4-diol (CID 19817257) is 2-methoxy-3,5,6-trimethylbenzene-1,4-diol.
What is the SMILES notation for 2-methoxy-3,5,6-trimethylbenzene-1,4-diol?
The canonical SMILES for 2-methoxy-3,5,6-trimethylbenzene-1,4-diol is COc1c(C)c(O)c(C)c(C)c1O.
What is the InChIKey of 2-methoxy-3,5,6-trimethylbenzene-1,4-diol?
The InChIKey is ABIYDMCJAIFUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-5-6(2)9(12)10(13-4)7(3)8(5)11/h11-12H,1-4H3.
What are the key properties of 2-methoxy-3,5,6-trimethylbenzene-1,4-diol?
2-methoxy-3,5,6-trimethylbenzene-1,4-diol has a molecular weight of 182.22 g/mol, XLogP of 2.03, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3,5,6-trimethylbenzene-1,4-diol is sourced from PubChem (CID 19817257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).