6-hydroxy-5,7,8-trimethoxychromen-2-one

C12H12O6 — CID 86221763

IUPAC6-hydroxy-5,7,8-trimethoxychromen-2-one
SMILESCOc1c(O)c(OC)c2ccc(=O)oc2c1OC
InChIInChI=1S/C12H12O6/c1-15-9-6-4-5-7(13)18-10(6)12(17-3)11(16-2)8(9)14/h4-5,14H,1-3H3
InChIKeyANLOTPFPHVRUAQ-UHFFFAOYSA-N
MW252.22 g/mol
LogP1.52
Rot. Bonds3

About 6-hydroxy-5,7,8-trimethoxychromen-2-one

6-hydroxy-5,7,8-trimethoxychromen-2-one (PubChem CID 86221763) has the molecular formula C12H12O6 and a molecular weight of 252.22 g/mol. Its IUPAC name is 6-hydroxy-5,7,8-trimethoxychromen-2-one.

Molecular Properties

Compound Name6-hydroxy-5,7,8-trimethoxychromen-2-one
PubChem CID86221763
Molecular FormulaC12H12O6
Molecular Weight252.22 g/mol
Exact Mass252.06
IUPAC Name6-hydroxy-5,7,8-trimethoxychromen-2-one
SMILESCOc1c(O)c(OC)c2ccc(=O)oc2c1OC
InChIInChI=1S/C12H12O6/c1-15-9-6-4-5-7(13)18-10(6)12(17-3)11(16-2)8(9)14/h4-5,14H,1-3H3
InChIKeyANLOTPFPHVRUAQ-UHFFFAOYSA-N
XLogP1.52
TPSA78.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.22
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-hydroxy-6,8-dimethoxy-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
CID 162902204
1,3,4,6-tetramethoxydibenzofuran-2,7-diol
CID 10403706
7-hydroxy-8-methoxy-2-oxochromene-6-carbaldehyde
CID 15108317
8-acetyl-6-hydroxy-7-methoxychromen-2-one
CID 161217673
3-hydroxy-9-methoxyfuro[3,2-g]chromen-7-one
CID 59891635
9-[(2S)-3-chloro-2-hydroxy-3-methylbutoxy]-4-methoxyfuro[3,2-g]chromen-7-one
CID 163042488
7-hydroxy-8-methoxy-6-pyridazin-4-ylchromen-2-one
CID 135456701
4-bromo-9-methoxy-2,3-dihydrofuro[3,2-g]chromen-7-one
CID 121001076
3,6-dihydroxy-5,7,8-trimethoxy-2-(4-methoxyphenyl)chromen-4-one
CID 10643114
N-(9-methoxy-7-oxofuro[3,2-g]chromen-4-yl)propanamide
CID 135132631
4-(2-hydroxy-3-methoxy-3-methylbutoxy)-9-methoxyfuro[3,2-g]chromen-7-one
CID 102165492
3-hydroxy-1,2,4-trimethoxyxanthen-9-one
CID 5386265

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5,7,8-trimethoxychromen-2-one?
The IUPAC name of 6-hydroxy-5,7,8-trimethoxychromen-2-one (CID 86221763) is 6-hydroxy-5,7,8-trimethoxychromen-2-one.
What is the SMILES notation for 6-hydroxy-5,7,8-trimethoxychromen-2-one?
The canonical SMILES for 6-hydroxy-5,7,8-trimethoxychromen-2-one is COc1c(O)c(OC)c2ccc(=O)oc2c1OC.
What is the InChIKey of 6-hydroxy-5,7,8-trimethoxychromen-2-one?
The InChIKey is ANLOTPFPHVRUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O6/c1-15-9-6-4-5-7(13)18-10(6)12(17-3)11(16-2)8(9)14/h4-5,14H,1-3H3.
What are the key properties of 6-hydroxy-5,7,8-trimethoxychromen-2-one?
6-hydroxy-5,7,8-trimethoxychromen-2-one has a molecular weight of 252.22 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5,7,8-trimethoxychromen-2-one is sourced from PubChem (CID 86221763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).