3-(2-hydroxyethyl)-6,7-dimethoxy-4-methylchromen-2-one

C14H16O5 — CID 19428132

IUPAC3-(2-hydroxyethyl)-6,7-dimethoxy-4-methylchromen-2-one
SMILESCOc1cc2oc(=O)c(CCO)c(C)c2cc1OC
InChIInChI=1S/C14H16O5/c1-8-9(4-5-15)14(16)19-11-7-13(18-3)12(17-2)6-10(8)11/h6-7,15H,4-5H2,1-3H3
InChIKeyKYUDVIMKHFGJEC-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.65
Rot. Bonds4

About 3-(2-hydroxyethyl)-6,7-dimethoxy-4-methylchromen-2-one

3-(2-hydroxyethyl)-6,7-dimethoxy-4-methylchromen-2-one (PubChem CID 19428132) has the molecular formula C14H16O5 and a molecular weight of 264.28 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-6,7-dimethoxy-4-methylchromen-2-one.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-6,7-dimethoxy-4-methylchromen-2-one
PubChem CID19428132
Molecular FormulaC14H16O5
Molecular Weight264.28 g/mol
Exact Mass264.10
IUPAC Name3-(2-hydroxyethyl)-6,7-dimethoxy-4-methylchromen-2-one
SMILESCOc1cc2oc(=O)c(CCO)c(C)c2cc1OC
InChIInChI=1S/C14H16O5/c1-8-9(4-5-15)14(16)19-11-7-13(18-3)12(17-2)6-10(8)11/h6-7,15H,4-5H2,1-3H3
InChIKeyKYUDVIMKHFGJEC-UHFFFAOYSA-N
XLogP1.65
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-butyl-6-hydroxy-7-methoxy-4-methylchromen-2-one
CID 19927645
2-(6-chloro-7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 4914071
2-[[2-(6,7-dimethoxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]-2-(4-hydroxyphenyl)acetic acid
CID 3819030
2-(6-chloro-7-methoxy-4-methyl-2-oxochromen-3-yl)-N-cyclopropylacetamide
CID 4908372
3-(4-chlorophenyl)-2-[[2-(6,7-dimethoxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]propanoic acid
CID 3790110
3-(2-aminoethyl)-7-methoxy-4-methylchromen-2-one
CID 129053570
6-hydroxy-4,7-dimethyl-3-propylchromen-2-one
CID 3066744
8-(2-hydroxyethyl)-2-methoxy-3-[(4-methoxyphenyl)methoxy]benzo[c]chromen-6-one
CID 66645164
N-[3-(dimethylamino)propyl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
CID 4965116
2-(3,6-dimethoxy-2-methylphenyl)ethanol
CID 117286361
N-methoxy-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-methylpropanamide
CID 51272059
N-(3-hydroxypropyl)-3-(2,3,5-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanamide
CID 4966618

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-6,7-dimethoxy-4-methylchromen-2-one?
The IUPAC name of 3-(2-hydroxyethyl)-6,7-dimethoxy-4-methylchromen-2-one (CID 19428132) is 3-(2-hydroxyethyl)-6,7-dimethoxy-4-methylchromen-2-one.
What is the SMILES notation for 3-(2-hydroxyethyl)-6,7-dimethoxy-4-methylchromen-2-one?
The canonical SMILES for 3-(2-hydroxyethyl)-6,7-dimethoxy-4-methylchromen-2-one is COc1cc2oc(=O)c(CCO)c(C)c2cc1OC.
What is the InChIKey of 3-(2-hydroxyethyl)-6,7-dimethoxy-4-methylchromen-2-one?
The InChIKey is KYUDVIMKHFGJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O5/c1-8-9(4-5-15)14(16)19-11-7-13(18-3)12(17-2)6-10(8)11/h6-7,15H,4-5H2,1-3H3.
What are the key properties of 3-(2-hydroxyethyl)-6,7-dimethoxy-4-methylchromen-2-one?
3-(2-hydroxyethyl)-6,7-dimethoxy-4-methylchromen-2-one has a molecular weight of 264.28 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-6,7-dimethoxy-4-methylchromen-2-one is sourced from PubChem (CID 19428132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).