1-hydroxy-3-methoxy-2,4-dimethylxanthen-9-one

C16H14O4 — CID 86028059

IUPAC1-hydroxy-3-methoxy-2,4-dimethylxanthen-9-one
SMILESCOc1c(C)c(O)c2c(=O)c3ccccc3oc2c1C
InChIInChI=1S/C16H14O4/c1-8-13(17)12-14(18)10-6-4-5-7-11(10)20-16(12)9(2)15(8)19-3/h4-7,17H,1-3H3
InChIKeyQRRLZGUKCLBGGW-UHFFFAOYSA-N
MW270.28 g/mol
LogP3.28
Rot. Bonds1

About 1-hydroxy-3-methoxy-2,4-dimethylxanthen-9-one

1-hydroxy-3-methoxy-2,4-dimethylxanthen-9-one (PubChem CID 86028059) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is 1-hydroxy-3-methoxy-2,4-dimethylxanthen-9-one.

Molecular Properties

Compound Name1-hydroxy-3-methoxy-2,4-dimethylxanthen-9-one
PubChem CID86028059
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name1-hydroxy-3-methoxy-2,4-dimethylxanthen-9-one
SMILESCOc1c(C)c(O)c2c(=O)c3ccccc3oc2c1C
InChIInChI=1S/C16H14O4/c1-8-13(17)12-14(18)10-6-4-5-7-11(10)20-16(12)9(2)15(8)19-3/h4-7,17H,1-3H3
InChIKeyQRRLZGUKCLBGGW-UHFFFAOYSA-N
XLogP3.28
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-1,2,4-trimethoxyxanthen-9-one
CID 5386265
3,4-dihydroxy-1,2-dimethylxanthen-9-one
CID 172645694
3,4-dihydroxy-1-methoxyxanthen-9-one
CID 86220474
4-hydroxy-1-methoxyxanthen-9-one
CID 162982875
2,4-dibromo-1,3-dihydroxyxanthen-9-one
CID 139085816
1,2-dimethoxy-3-methylxanthen-9-one
CID 174891108
3,7-dihydroxy-5-methoxy-6,8-dimethyl-2-phenylchromen-4-one
CID 140843244
1,2-dimethoxy-9-oxoxanthene-4-carbaldehyde
CID 71664197
(2S,3S)-6-hydroxy-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(hydroxymethyl)-5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-c]xanthen-7-one
CID 50940759
3-methoxy-2-(4-methylphenyl)chromen-4-one
CID 139049420
1,3-dimethoxy-4-methyldibenzofuran
CID 86106843
1,7-dihydroxy-2,3,4-trimethoxyxanthen-9-one;hydrate
CID 139074495

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-methoxy-2,4-dimethylxanthen-9-one?
The IUPAC name of 1-hydroxy-3-methoxy-2,4-dimethylxanthen-9-one (CID 86028059) is 1-hydroxy-3-methoxy-2,4-dimethylxanthen-9-one.
What is the SMILES notation for 1-hydroxy-3-methoxy-2,4-dimethylxanthen-9-one?
The canonical SMILES for 1-hydroxy-3-methoxy-2,4-dimethylxanthen-9-one is COc1c(C)c(O)c2c(=O)c3ccccc3oc2c1C.
What is the InChIKey of 1-hydroxy-3-methoxy-2,4-dimethylxanthen-9-one?
The InChIKey is QRRLZGUKCLBGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c1-8-13(17)12-14(18)10-6-4-5-7-11(10)20-16(12)9(2)15(8)19-3/h4-7,17H,1-3H3.
What are the key properties of 1-hydroxy-3-methoxy-2,4-dimethylxanthen-9-one?
1-hydroxy-3-methoxy-2,4-dimethylxanthen-9-one has a molecular weight of 270.28 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-methoxy-2,4-dimethylxanthen-9-one is sourced from PubChem (CID 86028059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).