7-(naphthalen-1-ylmethoxy)-4-propylchromen-2-one

C23H20O3 — CID 7917681

IUPAC7-(naphthalen-1-ylmethoxy)-4-propylchromen-2-one
SMILESCCCc1cc(=O)oc2cc(OCc3cccc4ccccc34)ccc12
InChIInChI=1S/C23H20O3/c1-2-6-17-13-23(24)26-22-14-19(11-12-21(17)22)25-15-18-9-5-8-16-7-3-4-10-20(16)18/h3-5,7-14H,2,6,15H2,1H3
InChIKeyCEKAWQXGGLZMNV-UHFFFAOYSA-N
MW344.41 g/mol
LogP5.48
Rot. Bonds5

About 7-(naphthalen-1-ylmethoxy)-4-propylchromen-2-one

7-(naphthalen-1-ylmethoxy)-4-propylchromen-2-one (PubChem CID 7917681) has the molecular formula C23H20O3 and a molecular weight of 344.41 g/mol. Its IUPAC name is 7-(naphthalen-1-ylmethoxy)-4-propylchromen-2-one.

Molecular Properties

Compound Name7-(naphthalen-1-ylmethoxy)-4-propylchromen-2-one
PubChem CID7917681
Molecular FormulaC23H20O3
Molecular Weight344.41 g/mol
Exact Mass344.14
IUPAC Name7-(naphthalen-1-ylmethoxy)-4-propylchromen-2-one
SMILESCCCc1cc(=O)oc2cc(OCc3cccc4ccccc34)ccc12
InChIInChI=1S/C23H20O3/c1-2-6-17-13-23(24)26-22-14-19(11-12-21(17)22)25-15-18-9-5-8-16-7-3-4-10-20(16)18/h3-5,7-14H,2,6,15H2,1H3
InChIKeyCEKAWQXGGLZMNV-UHFFFAOYSA-N
XLogP5.48
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.41
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-[(2-methylnaphthalen-1-yl)methoxy]-4-propylchromen-2-one
CID 23763929
7-[(4-bromophenyl)methoxy]-4-propylchromen-2-one
CID 22310572
7-[(2-chloro-4-fluorophenyl)methoxy]-4-propylchromen-2-one
CID 886164
4-propyl-7-[(3,4,5-trimethoxyphenyl)methoxy]chromen-2-one
CID 1325534
6-methyl-2-[(2-oxo-4-propylchromen-7-yl)oxymethyl]pyrido[1,2-a]pyrimidin-4-one
CID 51293952
7-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-propylchromen-2-one
CID 7917685
4-propyl-7-[(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)methoxy]chromen-2-one
CID 46933173
7-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-4-propylchromen-2-one
CID 112787885
7-(1,3-benzoxazol-2-ylmethoxy)-4-ethylchromen-2-one
CID 9354998
7-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methoxy]-4-propylchromen-2-one
CID 46583293
N-(2,6-dimethylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide
CID 2196142
7-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-4-propylchromen-2-one
CID 9353949

Frequently Asked Questions

What is the IUPAC name of 7-(naphthalen-1-ylmethoxy)-4-propylchromen-2-one?
The IUPAC name of 7-(naphthalen-1-ylmethoxy)-4-propylchromen-2-one (CID 7917681) is 7-(naphthalen-1-ylmethoxy)-4-propylchromen-2-one.
What is the SMILES notation for 7-(naphthalen-1-ylmethoxy)-4-propylchromen-2-one?
The canonical SMILES for 7-(naphthalen-1-ylmethoxy)-4-propylchromen-2-one is CCCc1cc(=O)oc2cc(OCc3cccc4ccccc34)ccc12.
What is the InChIKey of 7-(naphthalen-1-ylmethoxy)-4-propylchromen-2-one?
The InChIKey is CEKAWQXGGLZMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O3/c1-2-6-17-13-23(24)26-22-14-19(11-12-21(17)22)25-15-18-9-5-8-16-7-3-4-10-20(16)18/h3-5,7-14H,2,6,15H2,1H3.
What are the key properties of 7-(naphthalen-1-ylmethoxy)-4-propylchromen-2-one?
7-(naphthalen-1-ylmethoxy)-4-propylchromen-2-one has a molecular weight of 344.41 g/mol, XLogP of 5.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(naphthalen-1-ylmethoxy)-4-propylchromen-2-one is sourced from PubChem (CID 7917681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).