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

C14H10O5 — CID 15819467

IUPAC1,4-dihydroxy-7-methoxyxanthen-9-one
SMILESCOc1ccc2oc3c(O)ccc(O)c3c(=O)c2c1
InChIInChI=1S/C14H10O5/c1-18-7-2-5-11-8(6-7)13(17)12-9(15)3-4-10(16)14(12)19-11/h2-6,15-16H,1H3
InChIKeyWLXANWADNMPBKU-UHFFFAOYSA-N
MW258.23 g/mol
LogP2.37
Rot. Bonds1

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

1,4-dihydroxy-7-methoxyxanthen-9-one (PubChem CID 15819467) has the molecular formula C14H10O5 and a molecular weight of 258.23 g/mol. Its IUPAC name is 1,4-dihydroxy-7-methoxyxanthen-9-one.

Molecular Properties

Compound Name1,4-dihydroxy-7-methoxyxanthen-9-one
PubChem CID15819467
Molecular FormulaC14H10O5
Molecular Weight258.23 g/mol
Exact Mass258.05
IUPAC Name1,4-dihydroxy-7-methoxyxanthen-9-one
SMILESCOc1ccc2oc3c(O)ccc(O)c3c(=O)c2c1
InChIInChI=1S/C14H10O5/c1-18-7-2-5-11-8(6-7)13(17)12-9(15)3-4-10(16)14(12)19-11/h2-6,15-16H,1H3
InChIKeyWLXANWADNMPBKU-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': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

1,7-dihydroxy-4-methoxyxanthen-9-one
CID 5465785
4-hydroxy-1-methoxyxanthen-9-one
CID 162982875
1-hydroxy-7-methoxy-3-propan-2-yloxyxanthen-9-one
CID 6221914
1,5-dihydroxy-3-methoxyxanthen-9-one
CID 5281651
ethane-1,2-diol;2-methoxyxanthen-9-one
CID 126598327
2-methoxy-[1]benzofuro[3,2-c]chromen-6-one
CID 110272886
1-hydroxy-7-prop-2-enoxyxanthen-9-one
CID 163066969
1,5,8-trihydroxy-3,4-dimethoxyxanthen-9-one
CID 86183532
3,6-dimethoxy-2-(4-methoxyphenyl)chromen-4-one
CID 14804651
2-(2-hydroxy-5-methoxyphenyl)-1,3-benzoxazin-4-one
CID 135763141
1,2,4-trihydroxy-9-methoxybenzo[c]chromen-6-one
CID 171936005
3,4-dihydroxy-1-methoxyxanthen-9-one
CID 86220474

Frequently Asked Questions

What is the IUPAC name of 1,4-dihydroxy-7-methoxyxanthen-9-one?
The IUPAC name of 1,4-dihydroxy-7-methoxyxanthen-9-one (CID 15819467) is 1,4-dihydroxy-7-methoxyxanthen-9-one.
What is the SMILES notation for 1,4-dihydroxy-7-methoxyxanthen-9-one?
The canonical SMILES for 1,4-dihydroxy-7-methoxyxanthen-9-one is COc1ccc2oc3c(O)ccc(O)c3c(=O)c2c1.
What is the InChIKey of 1,4-dihydroxy-7-methoxyxanthen-9-one?
The InChIKey is WLXANWADNMPBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O5/c1-18-7-2-5-11-8(6-7)13(17)12-9(15)3-4-10(16)14(12)19-11/h2-6,15-16H,1H3.
What are the key properties of 1,4-dihydroxy-7-methoxyxanthen-9-one?
1,4-dihydroxy-7-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 1,4-dihydroxy-7-methoxyxanthen-9-one is sourced from PubChem (CID 15819467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).