(4-oxo-3-phenylchromen-7-yl) 2-methoxyacetate

C18H14O5 — CID 23965769

IUPAC(4-oxo-3-phenylchromen-7-yl) 2-methoxyacetate
SMILESCOCC(=O)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1
InChIInChI=1S/C18H14O5/c1-21-11-17(19)23-13-7-8-14-16(9-13)22-10-15(18(14)20)12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKeyLRADHZXGIHBKHM-UHFFFAOYSA-N
MW310.31 g/mol
LogP3.01
Rot. Bonds4

About (4-oxo-3-phenylchromen-7-yl) 2-methoxyacetate

(4-oxo-3-phenylchromen-7-yl) 2-methoxyacetate (PubChem CID 23965769) has the molecular formula C18H14O5 and a molecular weight of 310.31 g/mol. Its IUPAC name is (4-oxo-3-phenylchromen-7-yl) 2-methoxyacetate.

Molecular Properties

Compound Name(4-oxo-3-phenylchromen-7-yl) 2-methoxyacetate
PubChem CID23965769
Molecular FormulaC18H14O5
Molecular Weight310.31 g/mol
Exact Mass310.08
IUPAC Name(4-oxo-3-phenylchromen-7-yl) 2-methoxyacetate
SMILESCOCC(=O)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1
InChIInChI=1S/C18H14O5/c1-21-11-17(19)23-13-7-8-14-16(9-13)22-10-15(18(14)20)12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKeyLRADHZXGIHBKHM-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4-oxo-3-phenylchromen-7-yl) 2-phenoxyacetate
CID 8913011
(4-oxo-3-phenylchromen-7-yl) 2-(3-methylphenoxy)acetate
CID 8913102
2-(4-oxo-3-phenylchromen-7-yl)oxyacetic acid
CID 15122627
7-(1-hydroxypropan-2-yloxy)-3-phenylchromen-4-one
CID 101159250
methyl 2-(4-oxo-3-phenylchromen-7-yl)oxybutanoate
CID 23987620
(4-oxo-3-phenylchromen-7-yl) 2-chloro-2-phenylacetate
CID 110274410
N-benzyl-N-methyl-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 2421773
(4-oxo-3-phenylchromen-7-yl) 2-(2-phenylethyl)benzoate
CID 23965174
7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one;[3-(4-hydroxyphenyl)-4-oxochromen-7-yl] 2-chloroacetate
CID 158879898
6-(4-oxo-3-phenylchromen-7-yl)oxyhexanoic acid
CID 54129732
2,7-dichloro-6-oxabicyclo[3.1.1]hepta-1,3,5(7)-triene;(4-oxo-3-phenylchromen-7-yl) acetate
CID 175439695
(4-oxo-3-phenylchromen-7-yl) 3-methyl-2-nitrobenzoate
CID 8912910

Frequently Asked Questions

What is the IUPAC name of (4-oxo-3-phenylchromen-7-yl) 2-methoxyacetate?
The IUPAC name of (4-oxo-3-phenylchromen-7-yl) 2-methoxyacetate (CID 23965769) is (4-oxo-3-phenylchromen-7-yl) 2-methoxyacetate.
What is the SMILES notation for (4-oxo-3-phenylchromen-7-yl) 2-methoxyacetate?
The canonical SMILES for (4-oxo-3-phenylchromen-7-yl) 2-methoxyacetate is COCC(=O)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1.
What is the InChIKey of (4-oxo-3-phenylchromen-7-yl) 2-methoxyacetate?
The InChIKey is LRADHZXGIHBKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O5/c1-21-11-17(19)23-13-7-8-14-16(9-13)22-10-15(18(14)20)12-5-3-2-4-6-12/h2-10H,11H2,1H3.
What are the key properties of (4-oxo-3-phenylchromen-7-yl) 2-methoxyacetate?
(4-oxo-3-phenylchromen-7-yl) 2-methoxyacetate has a molecular weight of 310.31 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-oxo-3-phenylchromen-7-yl) 2-methoxyacetate is sourced from PubChem (CID 23965769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).