7-[(2-methylnaphthalen-1-yl)methoxy]-4-propylchromen-2-one

C24H22O3 — CID 23763929

IUPAC7-[(2-methylnaphthalen-1-yl)methoxy]-4-propylchromen-2-one
SMILESCCCc1cc(=O)oc2cc(OCc3c(C)ccc4ccccc34)ccc12
InChIInChI=1S/C24H22O3/c1-3-6-18-13-24(25)27-23-14-19(11-12-21(18)23)26-15-22-16(2)9-10-17-7-4-5-8-20(17)22/h4-5,7-14H,3,6,15H2,1-2H3
InChIKeyXXXMXFFLKXKRFX-UHFFFAOYSA-N
MW358.44 g/mol
LogP5.79
Rot. Bonds5

About 7-[(2-methylnaphthalen-1-yl)methoxy]-4-propylchromen-2-one

7-[(2-methylnaphthalen-1-yl)methoxy]-4-propylchromen-2-one (PubChem CID 23763929) has the molecular formula C24H22O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 7-[(2-methylnaphthalen-1-yl)methoxy]-4-propylchromen-2-one.

Molecular Properties

Compound Name7-[(2-methylnaphthalen-1-yl)methoxy]-4-propylchromen-2-one
PubChem CID23763929
Molecular FormulaC24H22O3
Molecular Weight358.44 g/mol
Exact Mass358.16
IUPAC Name7-[(2-methylnaphthalen-1-yl)methoxy]-4-propylchromen-2-one
SMILESCCCc1cc(=O)oc2cc(OCc3c(C)ccc4ccccc34)ccc12
InChIInChI=1S/C24H22O3/c1-3-6-18-13-24(25)27-23-14-19(11-12-21(18)23)26-15-22-16(2)9-10-17-7-4-5-8-20(17)22/h4-5,7-14H,3,6,15H2,1-2H3
InChIKeyXXXMXFFLKXKRFX-UHFFFAOYSA-N
XLogP5.79
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.44
LogP ≤ 55.79
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-(naphthalen-1-ylmethoxy)-4-propylchromen-2-one
CID 7917681
7-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-propylchromen-2-one
CID 7917685
7-[(4-bromophenyl)methoxy]-4-propylchromen-2-one
CID 22310572
(2-oxo-4-propylchromen-7-yl) 2-(2-methylphenoxy)acetate
CID 7750798
4-propyl-7-[(3,4,5-trimethoxyphenyl)methoxy]chromen-2-one
CID 1325534
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
6-methyl-2-[(2-oxo-4-propylchromen-7-yl)oxymethyl]pyrido[1,2-a]pyrimidin-4-one
CID 51293952
7-[(2-chloro-4-fluorophenyl)methoxy]-4-propylchromen-2-one
CID 886164
N-(2,6-dimethylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide
CID 2196142
N-(3,4-dimethylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide
CID 7643484
7-(6-chloro-2-methylpyrimidin-4-yl)oxy-4-propylchromen-2-one
CID 133280797

Frequently Asked Questions

What is the IUPAC name of 7-[(2-methylnaphthalen-1-yl)methoxy]-4-propylchromen-2-one?
The IUPAC name of 7-[(2-methylnaphthalen-1-yl)methoxy]-4-propylchromen-2-one (CID 23763929) is 7-[(2-methylnaphthalen-1-yl)methoxy]-4-propylchromen-2-one.
What is the SMILES notation for 7-[(2-methylnaphthalen-1-yl)methoxy]-4-propylchromen-2-one?
The canonical SMILES for 7-[(2-methylnaphthalen-1-yl)methoxy]-4-propylchromen-2-one is CCCc1cc(=O)oc2cc(OCc3c(C)ccc4ccccc34)ccc12.
What is the InChIKey of 7-[(2-methylnaphthalen-1-yl)methoxy]-4-propylchromen-2-one?
The InChIKey is XXXMXFFLKXKRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O3/c1-3-6-18-13-24(25)27-23-14-19(11-12-21(18)23)26-15-22-16(2)9-10-17-7-4-5-8-20(17)22/h4-5,7-14H,3,6,15H2,1-2H3.
What are the key properties of 7-[(2-methylnaphthalen-1-yl)methoxy]-4-propylchromen-2-one?
7-[(2-methylnaphthalen-1-yl)methoxy]-4-propylchromen-2-one has a molecular weight of 358.44 g/mol, XLogP of 5.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-methylnaphthalen-1-yl)methoxy]-4-propylchromen-2-one is sourced from PubChem (CID 23763929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).