1-hydroxy-6-methylxanthen-9-one

C14H10O3 — CID 13031893

IUPAC1-hydroxy-6-methylxanthen-9-one
SMILESCc1ccc2c(=O)c3c(O)cccc3oc2c1
InChIInChI=1S/C14H10O3/c1-8-5-6-9-12(7-8)17-11-4-2-3-10(15)13(11)14(9)16/h2-7,15H,1H3
InChIKeyVKFFFZBCGRERNU-UHFFFAOYSA-N
MW226.23 g/mol
LogP2.96
Rot. Bonds

About 1-hydroxy-6-methylxanthen-9-one

1-hydroxy-6-methylxanthen-9-one (PubChem CID 13031893) has the molecular formula C14H10O3 and a molecular weight of 226.23 g/mol. Its IUPAC name is 1-hydroxy-6-methylxanthen-9-one.

Molecular Properties

Compound Name1-hydroxy-6-methylxanthen-9-one
PubChem CID13031893
Molecular FormulaC14H10O3
Molecular Weight226.23 g/mol
Exact Mass226.06
IUPAC Name1-hydroxy-6-methylxanthen-9-one
SMILESCc1ccc2c(=O)c3c(O)cccc3oc2c1
InChIInChI=1S/C14H10O3/c1-8-5-6-9-12(7-8)17-11-4-2-3-10(15)13(11)14(9)16/h2-7,15H,1H3
InChIKeyVKFFFZBCGRERNU-UHFFFAOYSA-N
XLogP2.96
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3-dihydroxy-6-methyl-2-(pyrrolidin-1-ylmethyl)xanthen-9-one
CID 90469091
1-bromo-7-methyldibenzofuran
CID 142340676
(7-methyldibenzofuran-1-yl) acetate
CID 69395963
2-methylxanthen-9-one;xanthen-9-one
CID 70546954
1,3-dihydroxyxanthen-9-one
CID 5488193
7,9-dihydroxy-3-methylbenzo[c]chromen-6-one
CID 167630896
2-(3-hydroxy-4-methylphenyl)-3,7-dimethylchromen-4-one
CID 90834685
4-hydroxy-3,7-dimethylchromen-2-one
CID 54727939
3-ethyl-1,8-dihydroxyxanthen-9-one
CID 164763934
3-methylxanthene-9-thione
CID 57266652
4,8-dimethyl-[1]benzofuro[3,2-g]chromen-2-one
CID 125486556
2-methyl-9-(trifluoromethyl)benzo[a]xanthen-12-one
CID 135193767

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-6-methylxanthen-9-one?
The IUPAC name of 1-hydroxy-6-methylxanthen-9-one (CID 13031893) is 1-hydroxy-6-methylxanthen-9-one.
What is the SMILES notation for 1-hydroxy-6-methylxanthen-9-one?
The canonical SMILES for 1-hydroxy-6-methylxanthen-9-one is Cc1ccc2c(=O)c3c(O)cccc3oc2c1.
What is the InChIKey of 1-hydroxy-6-methylxanthen-9-one?
The InChIKey is VKFFFZBCGRERNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O3/c1-8-5-6-9-12(7-8)17-11-4-2-3-10(15)13(11)14(9)16/h2-7,15H,1H3.
What are the key properties of 1-hydroxy-6-methylxanthen-9-one?
1-hydroxy-6-methylxanthen-9-one has a molecular weight of 226.23 g/mol, XLogP of 2.96, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-6-methylxanthen-9-one is sourced from PubChem (CID 13031893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).