7-(2-naphthalen-2-yl-2-oxoethoxy)chromen-2-one

C21H14O4 — CID 2292760

IUPAC7-(2-naphthalen-2-yl-2-oxoethoxy)chromen-2-one
SMILESO=C(COc1ccc2ccc(=O)oc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C21H14O4/c22-19(17-6-5-14-3-1-2-4-16(14)11-17)13-24-18-9-7-15-8-10-21(23)25-20(15)12-18/h1-12H,13H2
InChIKeyPMWQLEFKEHXJHB-UHFFFAOYSA-N
MW330.34 g/mol
LogP4.21
Rot. Bonds4

About 7-(2-naphthalen-2-yl-2-oxoethoxy)chromen-2-one

7-(2-naphthalen-2-yl-2-oxoethoxy)chromen-2-one (PubChem CID 2292760) has the molecular formula C21H14O4 and a molecular weight of 330.34 g/mol. Its IUPAC name is 7-(2-naphthalen-2-yl-2-oxoethoxy)chromen-2-one.

Molecular Properties

Compound Name7-(2-naphthalen-2-yl-2-oxoethoxy)chromen-2-one
PubChem CID2292760
Molecular FormulaC21H14O4
Molecular Weight330.34 g/mol
Exact Mass330.09
IUPAC Name7-(2-naphthalen-2-yl-2-oxoethoxy)chromen-2-one
SMILESO=C(COc1ccc2ccc(=O)oc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C21H14O4/c22-19(17-6-5-14-3-1-2-4-16(14)11-17)13-24-18-9-7-15-8-10-21(23)25-20(15)12-18/h1-12H,13H2
InChIKeyPMWQLEFKEHXJHB-UHFFFAOYSA-N
XLogP4.21
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-(2-naphthalen-2-yl-2-oxoethoxy)chromen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[2-oxo-2-(4-propan-2-ylphenyl)ethoxy]chromen-2-one
CID 7565097
4-methyl-7-(2-naphthalen-2-yl-2-oxoethoxy)chromen-2-one
CID 882295
6-phenacyloxychromen-2-one
CID 127037717
6-[2-oxo-2-(4-phenylphenyl)ethoxy]chromen-2-one
CID 127037718
2,2-dimethyl-N-[4-[2-(2-oxochromen-7-yl)oxyacetyl]phenyl]propanamide
CID 7432101
7-[2-[2-(difluoromethoxy)phenyl]-2-oxoethoxy]chromen-2-one
CID 134025264
4-[(2-oxochromen-7-yl)oxymethoxy]benzoic acid
CID 59211340
7-(2-methylprop-2-enoxy)chromen-2-one
CID 875202
dimethylazanium;2-(2-oxochromen-7-yl)oxyacetate
CID 139081078
2-[(2-oxochromen-7-yl)oxymethyl]prop-2-enoyl chloride
CID 167142962
N-benzhydryl-2-(2-oxochromen-7-yl)oxyacetamide
CID 2128769
2-(3-aminophenoxy)-1-naphthalen-2-ylethanone
CID 46307596

Frequently Asked Questions

What is the IUPAC name of 7-(2-naphthalen-2-yl-2-oxoethoxy)chromen-2-one?
The IUPAC name of 7-(2-naphthalen-2-yl-2-oxoethoxy)chromen-2-one (CID 2292760) is 7-(2-naphthalen-2-yl-2-oxoethoxy)chromen-2-one.
What is the SMILES notation for 7-(2-naphthalen-2-yl-2-oxoethoxy)chromen-2-one?
The canonical SMILES for 7-(2-naphthalen-2-yl-2-oxoethoxy)chromen-2-one is O=C(COc1ccc2ccc(=O)oc2c1)c1ccc2ccccc2c1.
What is the InChIKey of 7-(2-naphthalen-2-yl-2-oxoethoxy)chromen-2-one?
The InChIKey is PMWQLEFKEHXJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14O4/c22-19(17-6-5-14-3-1-2-4-16(14)11-17)13-24-18-9-7-15-8-10-21(23)25-20(15)12-18/h1-12H,13H2.
What are the key properties of 7-(2-naphthalen-2-yl-2-oxoethoxy)chromen-2-one?
7-(2-naphthalen-2-yl-2-oxoethoxy)chromen-2-one has a molecular weight of 330.34 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-naphthalen-2-yl-2-oxoethoxy)chromen-2-one is sourced from PubChem (CID 2292760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).