2,5-dimethoxy-3-methylbenzene-1,4-diol

C9H12O4 — CID 118620662

IUPAC2,5-dimethoxy-3-methylbenzene-1,4-diol
SMILESCOc1cc(O)c(OC)c(C)c1O
InChIInChI=1S/C9H12O4/c1-5-8(11)7(12-2)4-6(10)9(5)13-3/h4,10-11H,1-3H3
InChIKeyRPRSSGBIGNAUMA-UHFFFAOYSA-N
MW184.19 g/mol
LogP1.42
Rot. Bonds2

About 2,5-dimethoxy-3-methylbenzene-1,4-diol

2,5-dimethoxy-3-methylbenzene-1,4-diol (PubChem CID 118620662) has the molecular formula C9H12O4 and a molecular weight of 184.19 g/mol. Its IUPAC name is 2,5-dimethoxy-3-methylbenzene-1,4-diol.

Molecular Properties

Compound Name2,5-dimethoxy-3-methylbenzene-1,4-diol
PubChem CID118620662
Molecular FormulaC9H12O4
Molecular Weight184.19 g/mol
Exact Mass184.07
IUPAC Name2,5-dimethoxy-3-methylbenzene-1,4-diol
SMILESCOc1cc(O)c(OC)c(C)c1O
InChIInChI=1S/C9H12O4/c1-5-8(11)7(12-2)4-6(10)9(5)13-3/h4,10-11H,1-3H3
InChIKeyRPRSSGBIGNAUMA-UHFFFAOYSA-N
XLogP1.42
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,5-dimethoxy-3,4-dimethylphenol
CID 84658444
2,3-dimethoxy-5,6-dimethylphenol
CID 53405608
2-methoxy-3,5-dimethylbenzene-1,4-diol;2-methoxy-3,5,6-trimethylbenzene-1,4-diol
CID 19817256
4-amino-6-methoxy-2,3-dimethylphenol
CID 58463229
2-fluoro-5-methoxy-3,4-dimethylphenol
CID 10607234
5-[2-(3,4-dihydroxy-5-methoxyphenyl)ethynyl]-2-methoxybenzene-1,3-diol
CID 171920398
3,5-dimethoxy-2,6-dimethylphenol
CID 25145990
2,4-dihydroxy-3,6-dimethoxybenzaldehyde
CID 71365717
3,6-dihydroxy-2,4-dimethoxybenzaldehyde
CID 24879948
3,5-dimethoxy-2-(trifluoromethyl)benzene-1,4-diol
CID 163283549
3-[(E)-16-(2,5-dihydroxy-3,6-dimethoxyphenyl)hexadec-8-enyl]-2,5-dimethoxybenzene-1,4-diol
CID 10325490
3,6-dimethoxy-2-methylphenol
CID 13158257

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-3-methylbenzene-1,4-diol?
The IUPAC name of 2,5-dimethoxy-3-methylbenzene-1,4-diol (CID 118620662) is 2,5-dimethoxy-3-methylbenzene-1,4-diol.
What is the SMILES notation for 2,5-dimethoxy-3-methylbenzene-1,4-diol?
The canonical SMILES for 2,5-dimethoxy-3-methylbenzene-1,4-diol is COc1cc(O)c(OC)c(C)c1O.
What is the InChIKey of 2,5-dimethoxy-3-methylbenzene-1,4-diol?
The InChIKey is RPRSSGBIGNAUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O4/c1-5-8(11)7(12-2)4-6(10)9(5)13-3/h4,10-11H,1-3H3.
What are the key properties of 2,5-dimethoxy-3-methylbenzene-1,4-diol?
2,5-dimethoxy-3-methylbenzene-1,4-diol has a molecular weight of 184.19 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-3-methylbenzene-1,4-diol is sourced from PubChem (CID 118620662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).