(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl 2-(3-fluorophenoxy)acetate

C19H15FO6 — CID 8913913

IUPAC(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl 2-(3-fluorophenoxy)acetate
SMILESCc1c(O)ccc2c(COC(=O)COc3cccc(F)c3)cc(=O)oc12
InChIInChI=1S/C19H15FO6/c1-11-16(21)6-5-15-12(7-17(22)26-19(11)15)9-25-18(23)10-24-14-4-2-3-13(20)8-14/h2-8,21H,9-10H2,1H3
InChIKeyNSLFNENNZNZFSW-UHFFFAOYSA-N
MW358.32 g/mol
LogP3.07
Rot. Bonds5

About (7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl 2-(3-fluorophenoxy)acetate

(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl 2-(3-fluorophenoxy)acetate (PubChem CID 8913913) has the molecular formula C19H15FO6 and a molecular weight of 358.32 g/mol. Its IUPAC name is (7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl 2-(3-fluorophenoxy)acetate.

Molecular Properties

Compound Name(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl 2-(3-fluorophenoxy)acetate
PubChem CID8913913
Molecular FormulaC19H15FO6
Molecular Weight358.32 g/mol
Exact Mass358.09
IUPAC Name(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl 2-(3-fluorophenoxy)acetate
SMILESCc1c(O)ccc2c(COC(=O)COc3cccc(F)c3)cc(=O)oc12
InChIInChI=1S/C19H15FO6/c1-11-16(21)6-5-15-12(7-17(22)26-19(11)15)9-25-18(23)10-24-14-4-2-3-13(20)8-14/h2-8,21H,9-10H2,1H3
InChIKeyNSLFNENNZNZFSW-UHFFFAOYSA-N
XLogP3.07
TPSA85.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.32
LogP ≤ 53.07
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

(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl 2-(4-methoxyphenoxy)acetate
CID 8874303
(6,7-dimethyl-2-oxochromen-4-yl)methyl 2-(3-fluorophenoxy)acetate
CID 8914762
(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl 3-methylbenzoate
CID 8708493
(7,8-dimethyl-2-oxochromen-4-yl)methyl 2-[(3-fluorobenzoyl)amino]acetate
CID 8662659
(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl 3-bromobenzoate
CID 7959085
(7,8-dimethyl-2-oxochromen-4-yl)methyl 2-(4-bromo-2-fluorophenoxy)acetate
CID 29394573
(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl (2S)-2-phenylbutanoate
CID 8753834
(4-ethyl-2-oxochromen-7-yl) 2-(3-fluorophenoxy)acetate
CID 8879849
(7-methyl-2-oxochromen-4-yl)methyl 2-(3-acetylphenoxy)acetate
CID 7902974
(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl 3-fluoro-4-methoxybenzoate
CID 8702844
(7,8-dimethyl-2-oxochromen-4-yl)methyl 4-(3-bromophenoxy)butanoate
CID 3994960
ethyl-[(3-fluorophenyl)methyl]-[(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl]azanium
CID 8744094

Frequently Asked Questions

What is the IUPAC name of (7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl 2-(3-fluorophenoxy)acetate?
The IUPAC name of (7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl 2-(3-fluorophenoxy)acetate (CID 8913913) is (7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl 2-(3-fluorophenoxy)acetate.
What is the SMILES notation for (7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl 2-(3-fluorophenoxy)acetate?
The canonical SMILES for (7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl 2-(3-fluorophenoxy)acetate is Cc1c(O)ccc2c(COC(=O)COc3cccc(F)c3)cc(=O)oc12.
What is the InChIKey of (7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl 2-(3-fluorophenoxy)acetate?
The InChIKey is NSLFNENNZNZFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FO6/c1-11-16(21)6-5-15-12(7-17(22)26-19(11)15)9-25-18(23)10-24-14-4-2-3-13(20)8-14/h2-8,21H,9-10H2,1H3.
What are the key properties of (7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl 2-(3-fluorophenoxy)acetate?
(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl 2-(3-fluorophenoxy)acetate has a molecular weight of 358.32 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl 2-(3-fluorophenoxy)acetate is sourced from PubChem (CID 8913913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).