1-hydroxy-3,4,8-trimethoxyxanthen-9-one

C16H14O6 — CID 162882586

IUPAC1-hydroxy-3,4,8-trimethoxyxanthen-9-one
SMILESCOc1cc(O)c2c(=O)c3c(OC)cccc3oc2c1OC
InChIInChI=1S/C16H14O6/c1-19-9-5-4-6-10-13(9)14(18)12-8(17)7-11(20-2)15(21-3)16(12)22-10/h4-7,17H,1-3H3
InChIKeyUCRWOIYPAVUBCV-UHFFFAOYSA-N
MW302.28 g/mol
LogP2.68
Rot. Bonds3

About 1-hydroxy-3,4,8-trimethoxyxanthen-9-one

1-hydroxy-3,4,8-trimethoxyxanthen-9-one (PubChem CID 162882586) has the molecular formula C16H14O6 and a molecular weight of 302.28 g/mol. Its IUPAC name is 1-hydroxy-3,4,8-trimethoxyxanthen-9-one.

Molecular Properties

Compound Name1-hydroxy-3,4,8-trimethoxyxanthen-9-one
PubChem CID162882586
Molecular FormulaC16H14O6
Molecular Weight302.28 g/mol
Exact Mass302.08
IUPAC Name1-hydroxy-3,4,8-trimethoxyxanthen-9-one
SMILESCOc1cc(O)c2c(=O)c3c(OC)cccc3oc2c1OC
InChIInChI=1S/C16H14O6/c1-19-9-5-4-6-10-13(9)14(18)12-8(17)7-11(20-2)15(21-3)16(12)22-10/h4-7,17H,1-3H3
InChIKeyUCRWOIYPAVUBCV-UHFFFAOYSA-N
XLogP2.68
TPSA78.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-hydroxy-3,4,5-trimethoxyxanthen-9-one
CID 72944463
1,5,8-trihydroxy-3,4-dimethoxyxanthen-9-one
CID 86183532
5-hydroxy-3,7,8-trimethoxy-2-(4-methoxy-3-methylphenyl)chromen-4-one
CID 162848461
1-hydroxy-10-methoxybenzo[c][1]benzoxepine-6,11-dione
CID 139586019
7-hydroxy-1-methoxyxanthen-9-one
CID 10490332
2-(3,4-dihydroxyphenyl)-5-hydroxy-7,8-dimethoxy-3-methylchromen-4-one
CID 14873686
2-(2,3-dimethoxyphenyl)-3-hydroxy-5-methoxychromen-4-one
CID 172643077
3,4-dihydroxy-1-methoxyxanthen-9-one
CID 86220474
4-hydroxy-1-methoxyxanthen-9-one
CID 162982875
3-hydroxy-4,10-dimethoxy-1-methylbenzo[c]chromen-6-one
CID 171935993
3,4,5-trimethoxychromen-2-one
CID 19930053
2-(2,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-8-methoxychromen-4-one
CID 163060449

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3,4,8-trimethoxyxanthen-9-one?
The IUPAC name of 1-hydroxy-3,4,8-trimethoxyxanthen-9-one (CID 162882586) is 1-hydroxy-3,4,8-trimethoxyxanthen-9-one.
What is the SMILES notation for 1-hydroxy-3,4,8-trimethoxyxanthen-9-one?
The canonical SMILES for 1-hydroxy-3,4,8-trimethoxyxanthen-9-one is COc1cc(O)c2c(=O)c3c(OC)cccc3oc2c1OC.
What is the InChIKey of 1-hydroxy-3,4,8-trimethoxyxanthen-9-one?
The InChIKey is UCRWOIYPAVUBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O6/c1-19-9-5-4-6-10-13(9)14(18)12-8(17)7-11(20-2)15(21-3)16(12)22-10/h4-7,17H,1-3H3.
What are the key properties of 1-hydroxy-3,4,8-trimethoxyxanthen-9-one?
1-hydroxy-3,4,8-trimethoxyxanthen-9-one has a molecular weight of 302.28 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3,4,8-trimethoxyxanthen-9-one is sourced from PubChem (CID 162882586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).