1,7-dihydroxy-4-methoxyxanthen-9-one

C14H10O5 — CID 5465785

IUPAC1,7-dihydroxy-4-methoxyxanthen-9-one
SMILESCOc1ccc(O)c2c(=O)c3cc(O)ccc3oc12
InChIInChI=1S/C14H10O5/c1-18-11-5-3-9(16)12-13(17)8-6-7(15)2-4-10(8)19-14(11)12/h2-6,15-16H,1H3
InChIKeyYDZGWMWSKOGVLG-UHFFFAOYSA-N
MW258.23 g/mol
LogP2.37
Rot. Bonds1

About 1,7-dihydroxy-4-methoxyxanthen-9-one

1,7-dihydroxy-4-methoxyxanthen-9-one (PubChem CID 5465785) has the molecular formula C14H10O5 and a molecular weight of 258.23 g/mol. Its IUPAC name is 1,7-dihydroxy-4-methoxyxanthen-9-one.

Molecular Properties

Compound Name1,7-dihydroxy-4-methoxyxanthen-9-one
PubChem CID5465785
Molecular FormulaC14H10O5
Molecular Weight258.23 g/mol
Exact Mass258.05
IUPAC Name1,7-dihydroxy-4-methoxyxanthen-9-one
SMILESCOc1ccc(O)c2c(=O)c3cc(O)ccc3oc12
InChIInChI=1S/C14H10O5/c1-18-11-5-3-9(16)12-13(17)8-6-7(15)2-4-10(8)19-14(11)12/h2-6,15-16H,1H3
InChIKeyYDZGWMWSKOGVLG-UHFFFAOYSA-N
XLogP2.37
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-hydroxy-1,2-dimethoxyxanthen-9-one
CID 86062550
7-hydroxy-1-methoxyxanthen-9-one
CID 10490332
1,4-dihydroxy-7-methoxyxanthen-9-one
CID 15819467
7-hydroxy-1,2,3-trimethoxyxanthen-9-one
CID 5320290
1,7-dihydroxy-2,3,4-trimethoxyxanthen-9-one;hydrate
CID 139074495
4-hydroxy-1-methoxyxanthen-9-one
CID 162982875
3,4-dihydroxy-1-methoxyxanthen-9-one
CID 86220474
1,2-dihydroxy-5,6-dimethoxyxanthen-9-one
CID 10016947
1,3,7-trihydroxy-4-(3-methylbut-2-enyl)xanthen-9-one
CID 123280234
1,5,8-trihydroxy-3,4-dimethoxyxanthen-9-one
CID 86183532
(4S,8R)-15-hydroxy-11,18-dimethoxy-7,9,20-trioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1(12),2,5,10,14,16,18-heptaen-13-one
CID 51035008
1-ethenyl-4-methoxyxanthen-9-one
CID 11391100

Frequently Asked Questions

What is the IUPAC name of 1,7-dihydroxy-4-methoxyxanthen-9-one?
The IUPAC name of 1,7-dihydroxy-4-methoxyxanthen-9-one (CID 5465785) is 1,7-dihydroxy-4-methoxyxanthen-9-one.
What is the SMILES notation for 1,7-dihydroxy-4-methoxyxanthen-9-one?
The canonical SMILES for 1,7-dihydroxy-4-methoxyxanthen-9-one is COc1ccc(O)c2c(=O)c3cc(O)ccc3oc12.
What is the InChIKey of 1,7-dihydroxy-4-methoxyxanthen-9-one?
The InChIKey is YDZGWMWSKOGVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O5/c1-18-11-5-3-9(16)12-13(17)8-6-7(15)2-4-10(8)19-14(11)12/h2-6,15-16H,1H3.
What are the key properties of 1,7-dihydroxy-4-methoxyxanthen-9-one?
1,7-dihydroxy-4-methoxyxanthen-9-one has a molecular weight of 258.23 g/mol, XLogP of 2.37, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dihydroxy-4-methoxyxanthen-9-one is sourced from PubChem (CID 5465785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).