4-methoxy-2,3-dimethylanthracene-1,5,9-triol

C17H16O4 — CID 101395621

IUPAC4-methoxy-2,3-dimethylanthracene-1,5,9-triol
SMILESCOc1c(C)c(C)c(O)c2c(O)c3cccc(O)c3cc12
InChIInChI=1S/C17H16O4/c1-8-9(2)17(21-3)12-7-11-10(5-4-6-13(11)18)16(20)14(12)15(8)19/h4-7,18-20H,1-3H3
InChIKeyGYMJQOUNDOYJBA-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.74
Rot. Bonds1

About 4-methoxy-2,3-dimethylanthracene-1,5,9-triol

4-methoxy-2,3-dimethylanthracene-1,5,9-triol (PubChem CID 101395621) has the molecular formula C17H16O4 and a molecular weight of 284.31 g/mol. Its IUPAC name is 4-methoxy-2,3-dimethylanthracene-1,5,9-triol.

Molecular Properties

Compound Name4-methoxy-2,3-dimethylanthracene-1,5,9-triol
PubChem CID101395621
Molecular FormulaC17H16O4
Molecular Weight284.31 g/mol
Exact Mass284.10
IUPAC Name4-methoxy-2,3-dimethylanthracene-1,5,9-triol
SMILESCOc1c(C)c(C)c(O)c2c(O)c3cccc(O)c3cc12
InChIInChI=1S/C17H16O4/c1-8-9(2)17(21-3)12-7-11-10(5-4-6-13(11)18)16(20)14(12)15(8)19/h4-7,18-20H,1-3H3
InChIKeyGYMJQOUNDOYJBA-UHFFFAOYSA-N
XLogP3.74
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

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CID 21399669
3-(3-hydroxy-2-methoxyanilino)-2-methoxyphenol
CID 57011726
1-methoxy-3-methylisoquinolin-5-ol
CID 84661934
ethane;1-methoxy-4-methylnaphthalen-2-ol
CID 142864573
2-methoxy-3-(methylamino)phenol
CID 68789660
4-methoxy-2,5,6-trimethylbenzene-1,3-diol
CID 154393157
2,5-dimethoxy-3,4-dimethylphenol
CID 84658444
6,11-bis(2,6-dimethoxyphenyl)tetracene-5,12-diol
CID 132568978
anthracene-1,5,9,10-tetrol
CID 71371518
2-(2-methoxy-3,4,5,6-tetramethylphenyl)phenol
CID 21315494
3-methylanthracene-1,2,4,8-tetrol
CID 91004047

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,3-dimethylanthracene-1,5,9-triol?
The IUPAC name of 4-methoxy-2,3-dimethylanthracene-1,5,9-triol (CID 101395621) is 4-methoxy-2,3-dimethylanthracene-1,5,9-triol.
What is the SMILES notation for 4-methoxy-2,3-dimethylanthracene-1,5,9-triol?
The canonical SMILES for 4-methoxy-2,3-dimethylanthracene-1,5,9-triol is COc1c(C)c(C)c(O)c2c(O)c3cccc(O)c3cc12.
What is the InChIKey of 4-methoxy-2,3-dimethylanthracene-1,5,9-triol?
The InChIKey is GYMJQOUNDOYJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O4/c1-8-9(2)17(21-3)12-7-11-10(5-4-6-13(11)18)16(20)14(12)15(8)19/h4-7,18-20H,1-3H3.
What are the key properties of 4-methoxy-2,3-dimethylanthracene-1,5,9-triol?
4-methoxy-2,3-dimethylanthracene-1,5,9-triol has a molecular weight of 284.31 g/mol, XLogP of 3.74, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,3-dimethylanthracene-1,5,9-triol is sourced from PubChem (CID 101395621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).