(2-oxochromen-7-yl) 2-(2-methylphenoxy)acetate

C18H14O5 — CID 7920974

IUPAC(2-oxochromen-7-yl) 2-(2-methylphenoxy)acetate
SMILESCc1ccccc1OCC(=O)Oc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C18H14O5/c1-12-4-2-3-5-15(12)21-11-18(20)22-14-8-6-13-7-9-17(19)23-16(13)10-14/h2-10H,11H2,1H3
InChIKeyJATYQHCLJJTQEI-UHFFFAOYSA-N
MW310.31 g/mol
LogP3.09
Rot. Bonds4

About (2-oxochromen-7-yl) 2-(2-methylphenoxy)acetate

(2-oxochromen-7-yl) 2-(2-methylphenoxy)acetate (PubChem CID 7920974) has the molecular formula C18H14O5 and a molecular weight of 310.31 g/mol. Its IUPAC name is (2-oxochromen-7-yl) 2-(2-methylphenoxy)acetate.

Molecular Properties

Compound Name(2-oxochromen-7-yl) 2-(2-methylphenoxy)acetate
PubChem CID7920974
Molecular FormulaC18H14O5
Molecular Weight310.31 g/mol
Exact Mass310.08
IUPAC Name(2-oxochromen-7-yl) 2-(2-methylphenoxy)acetate
SMILESCc1ccccc1OCC(=O)Oc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C18H14O5/c1-12-4-2-3-5-15(12)21-11-18(20)22-14-8-6-13-7-9-17(19)23-16(13)10-14/h2-10H,11H2,1H3
InChIKeyJATYQHCLJJTQEI-UHFFFAOYSA-N
XLogP3.09
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2-oxochromen-7-yl) 2-(2-chlorophenoxy)acetate
CID 8921423
(2-oxo-4-propylchromen-7-yl) 2-(2-methylphenoxy)acetate
CID 7750798
(2-oxochromen-7-yl) 2-(2-bromo-4-chlorophenoxy)acetate
CID 7920899
[2-oxo-3-(oxolan-2-ylmethylcarbamoyl)chromen-7-yl] 2-(2-methylphenoxy)acetate
CID 19186964
(4-methyl-2-oxochromen-7-yl) 2-(2-chlorophenoxy)acetate
CID 3293400
[4-[4-[2-(2-methylphenoxy)acetyl]oxyphenyl]phenyl] 2-(2-methylphenoxy)acetate
CID 2180640
(2-oxochromen-7-yl) butanoate
CID 781717
ethyl 2-(2-oxochromen-7-yl)oxyacetate;hydrochloride
CID 88715232
(2-oxochromen-7-yl) (3R)-3-phenylbutanoate
CID 7920875
(4-methyl-2-oxochromen-7-yl) 2-(2-methyl-5-propan-2-ylphenoxy)acetate
CID 7961684
(3-carbamoyl-2-oxochromen-7-yl) 2-(2-ethoxyphenoxy)acetate
CID 19186836
(2-oxochromen-7-yl) heptanoate
CID 87647336

Frequently Asked Questions

What is the IUPAC name of (2-oxochromen-7-yl) 2-(2-methylphenoxy)acetate?
The IUPAC name of (2-oxochromen-7-yl) 2-(2-methylphenoxy)acetate (CID 7920974) is (2-oxochromen-7-yl) 2-(2-methylphenoxy)acetate.
What is the SMILES notation for (2-oxochromen-7-yl) 2-(2-methylphenoxy)acetate?
The canonical SMILES for (2-oxochromen-7-yl) 2-(2-methylphenoxy)acetate is Cc1ccccc1OCC(=O)Oc1ccc2ccc(=O)oc2c1.
What is the InChIKey of (2-oxochromen-7-yl) 2-(2-methylphenoxy)acetate?
The InChIKey is JATYQHCLJJTQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O5/c1-12-4-2-3-5-15(12)21-11-18(20)22-14-8-6-13-7-9-17(19)23-16(13)10-14/h2-10H,11H2,1H3.
What are the key properties of (2-oxochromen-7-yl) 2-(2-methylphenoxy)acetate?
(2-oxochromen-7-yl) 2-(2-methylphenoxy)acetate has a molecular weight of 310.31 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxochromen-7-yl) 2-(2-methylphenoxy)acetate is sourced from PubChem (CID 7920974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).