5-methoxybenzene-1,2,4-triol

C7H8O4 — CID 20551665

IUPAC5-methoxybenzene-1,2,4-triol
SMILESCOc1cc(O)c(O)cc1O
InChIInChI=1S/C7H8O4/c1-11-7-3-5(9)4(8)2-6(7)10/h2-3,8-10H,1H3
InChIKeySHASWKQXUDPBHZ-UHFFFAOYSA-N
MW156.14 g/mol
LogP0.81
Rot. Bonds1

About 5-methoxybenzene-1,2,4-triol

5-methoxybenzene-1,2,4-triol (PubChem CID 20551665) has the molecular formula C7H8O4 and a molecular weight of 156.14 g/mol. Its IUPAC name is 5-methoxybenzene-1,2,4-triol.

Molecular Properties

Compound Name5-methoxybenzene-1,2,4-triol
PubChem CID20551665
Molecular FormulaC7H8O4
Molecular Weight156.14 g/mol
Exact Mass156.04
IUPAC Name5-methoxybenzene-1,2,4-triol
SMILESCOc1cc(O)c(O)cc1O
InChIInChI=1S/C7H8O4/c1-11-7-3-5(9)4(8)2-6(7)10/h2-3,8-10H,1H3
InChIKeySHASWKQXUDPBHZ-UHFFFAOYSA-N
XLogP0.81
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

4-iodo-2,5-dimethoxyphenol
CID 10850321
8-methoxydibenzo-p-dioxin-2,3,7-triol
CID 71171145
4-(1-aminoethyl)-2,5-dimethoxyphenol
CID 117287023
2-methoxy-5-propylbenzene-1,4-diol
CID 5314475
2-methoxy-4,5-bis(trifluoromethyl)phenol
CID 118852194
4-methoxy-6-prop-2-enylbenzene-1,3-diol
CID 15775117
2-(4,5-dihydroxy-2-methoxyphenyl)acetic acid
CID 141381031
2,5-dimethoxy-3,4-dimethylphenol
CID 84658444
4-hydroxy-2-(5-hydroxy-4-methoxy-2-sulfophenoxy)-5-methylbenzenesulfonic acid
CID 89118207
4-methoxy-5-nitrobenzene-1,2-diol
CID 86249066
3-methoxy-5,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 163922079
4-(hydroxymethyl)-2-methoxy-5-methylphenol
CID 15340173

Frequently Asked Questions

What is the IUPAC name of 5-methoxybenzene-1,2,4-triol?
The IUPAC name of 5-methoxybenzene-1,2,4-triol (CID 20551665) is 5-methoxybenzene-1,2,4-triol.
What is the SMILES notation for 5-methoxybenzene-1,2,4-triol?
The canonical SMILES for 5-methoxybenzene-1,2,4-triol is COc1cc(O)c(O)cc1O.
What is the InChIKey of 5-methoxybenzene-1,2,4-triol?
The InChIKey is SHASWKQXUDPBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O4/c1-11-7-3-5(9)4(8)2-6(7)10/h2-3,8-10H,1H3.
What are the key properties of 5-methoxybenzene-1,2,4-triol?
5-methoxybenzene-1,2,4-triol has a molecular weight of 156.14 g/mol, XLogP of 0.81, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxybenzene-1,2,4-triol is sourced from PubChem (CID 20551665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).