7-hydroxy-5-methoxy-3-[2-(2-methoxyethoxy)ethyl]-4-methylchromen-2-one

C16H20O6 — CID 89404879

IUPAC7-hydroxy-5-methoxy-3-[2-(2-methoxyethoxy)ethyl]-4-methylchromen-2-one
SMILESCOCCOCCc1c(C)c2c(OC)cc(O)cc2oc1=O
InChIInChI=1S/C16H20O6/c1-10-12(4-5-21-7-6-19-2)16(18)22-14-9-11(17)8-13(20-3)15(10)14/h8-9,17H,4-7H2,1-3H3
InChIKeySDEPFWOALVPHEM-UHFFFAOYSA-N
MW308.33 g/mol
LogP2.02
Rot. Bonds7

About 7-hydroxy-5-methoxy-3-[2-(2-methoxyethoxy)ethyl]-4-methylchromen-2-one

7-hydroxy-5-methoxy-3-[2-(2-methoxyethoxy)ethyl]-4-methylchromen-2-one (PubChem CID 89404879) has the molecular formula C16H20O6 and a molecular weight of 308.33 g/mol. Its IUPAC name is 7-hydroxy-5-methoxy-3-[2-(2-methoxyethoxy)ethyl]-4-methylchromen-2-one.

Molecular Properties

Compound Name7-hydroxy-5-methoxy-3-[2-(2-methoxyethoxy)ethyl]-4-methylchromen-2-one
PubChem CID89404879
Molecular FormulaC16H20O6
Molecular Weight308.33 g/mol
Exact Mass308.13
IUPAC Name7-hydroxy-5-methoxy-3-[2-(2-methoxyethoxy)ethyl]-4-methylchromen-2-one
SMILESCOCCOCCc1c(C)c2c(OC)cc(O)cc2oc1=O
InChIInChI=1S/C16H20O6/c1-10-12(4-5-21-7-6-19-2)16(18)22-14-9-11(17)8-13(20-3)15(10)14/h8-9,17H,4-7H2,1-3H3
InChIKeySDEPFWOALVPHEM-UHFFFAOYSA-N
XLogP2.02
TPSA78.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-7-hydroxy-5-methoxy-4-methylchromen-2-one
CID 164597280
2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-(3,4-dimethoxyphenyl)acetamide
CID 6227079
2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 4837385
2-(5-methoxy-4,7-dimethyl-2-oxochromen-3-yl)-N-(2-phenylethyl)acetamide
CID 4869246
2-(5-methoxy-4,7-dimethyl-2-oxochromen-3-yl)-N-(3-methylbutyl)acetamide
CID 4967829
5-methoxy-4,7-dimethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)chromen-2-one
CID 4914020
ethyl 2-methyl-3-oxobutanoate;7-hydroxy-5-(2-methoxyethoxy)-3,4-dimethylchromen-2-one;5-(2-methoxyethoxy)benzene-1,3-diol
CID 161120744
2-[[2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]-3-methylbutanoic acid
CID 3791578
3-(2-hydroxyethyl)-6,7-dimethoxy-4-methylchromen-2-one
CID 19428132
3-butyl-6-hydroxy-7-methoxy-4-methylchromen-2-one
CID 19927645
2-(5-methoxy-4,7-dimethyl-2-oxochromen-3-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 4914133
2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(2-pyrrol-1-ylethyl)acetamide
CID 56763626

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-5-methoxy-3-[2-(2-methoxyethoxy)ethyl]-4-methylchromen-2-one?
The IUPAC name of 7-hydroxy-5-methoxy-3-[2-(2-methoxyethoxy)ethyl]-4-methylchromen-2-one (CID 89404879) is 7-hydroxy-5-methoxy-3-[2-(2-methoxyethoxy)ethyl]-4-methylchromen-2-one.
What is the SMILES notation for 7-hydroxy-5-methoxy-3-[2-(2-methoxyethoxy)ethyl]-4-methylchromen-2-one?
The canonical SMILES for 7-hydroxy-5-methoxy-3-[2-(2-methoxyethoxy)ethyl]-4-methylchromen-2-one is COCCOCCc1c(C)c2c(OC)cc(O)cc2oc1=O.
What is the InChIKey of 7-hydroxy-5-methoxy-3-[2-(2-methoxyethoxy)ethyl]-4-methylchromen-2-one?
The InChIKey is SDEPFWOALVPHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O6/c1-10-12(4-5-21-7-6-19-2)16(18)22-14-9-11(17)8-13(20-3)15(10)14/h8-9,17H,4-7H2,1-3H3.
What are the key properties of 7-hydroxy-5-methoxy-3-[2-(2-methoxyethoxy)ethyl]-4-methylchromen-2-one?
7-hydroxy-5-methoxy-3-[2-(2-methoxyethoxy)ethyl]-4-methylchromen-2-one has a molecular weight of 308.33 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-5-methoxy-3-[2-(2-methoxyethoxy)ethyl]-4-methylchromen-2-one is sourced from PubChem (CID 89404879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).