4-butyl-8-methyl-7-(2-naphthalen-2-yl-2-oxoethoxy)chromen-2-one

C26H24O4 — CID 2292470

IUPAC4-butyl-8-methyl-7-(2-naphthalen-2-yl-2-oxoethoxy)chromen-2-one
SMILESCCCCc1cc(=O)oc2c(C)c(OCC(=O)c3ccc4ccccc4c3)ccc12
InChIInChI=1S/C26H24O4/c1-3-4-7-20-15-25(28)30-26-17(2)24(13-12-22(20)26)29-16-23(27)21-11-10-18-8-5-6-9-19(18)14-21/h5-6,8-15H,3-4,7,16H2,1-2H3
InChIKeyGMIUITMATCDANW-UHFFFAOYSA-N
MW400.47 g/mol
LogP5.86
Rot. Bonds7

About 4-butyl-8-methyl-7-(2-naphthalen-2-yl-2-oxoethoxy)chromen-2-one

4-butyl-8-methyl-7-(2-naphthalen-2-yl-2-oxoethoxy)chromen-2-one (PubChem CID 2292470) has the molecular formula C26H24O4 and a molecular weight of 400.47 g/mol. Its IUPAC name is 4-butyl-8-methyl-7-(2-naphthalen-2-yl-2-oxoethoxy)chromen-2-one.

Molecular Properties

Compound Name4-butyl-8-methyl-7-(2-naphthalen-2-yl-2-oxoethoxy)chromen-2-one
PubChem CID2292470
Molecular FormulaC26H24O4
Molecular Weight400.47 g/mol
Exact Mass400.17
IUPAC Name4-butyl-8-methyl-7-(2-naphthalen-2-yl-2-oxoethoxy)chromen-2-one
SMILESCCCCc1cc(=O)oc2c(C)c(OCC(=O)c3ccc4ccccc4c3)ccc12
InChIInChI=1S/C26H24O4/c1-3-4-7-20-15-25(28)30-26-17(2)24(13-12-22(20)26)29-16-23(27)21-11-10-18-8-5-6-9-19(18)14-21/h5-6,8-15H,3-4,7,16H2,1-2H3
InChIKeyGMIUITMATCDANW-UHFFFAOYSA-N
XLogP5.86
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.47
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-butyl-8-methyl-7-phenylmethoxychromen-2-one
CID 2902407
8-methyl-7-[2-oxo-2-(4-pyrrolidin-1-ylphenyl)ethoxy]-4-propylchromen-2-one
CID 2205601
methyl 2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxyacetate
CID 4914970
2-[8-(2-amino-2-oxoethoxy)-4-butyl-2-oxochromen-7-yl]oxyacetamide
CID 166604078
2-(4-butyl-8-methyl-2-oxochromen-7-yl)oxy-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylacetamide
CID 51971846
7-[2-(4-bromophenyl)-2-oxoethoxy]-8-methyl-4-phenylchromen-2-one
CID 4914745
methyl (2S)-2-(4-butyl-8-methyl-2-oxochromen-7-yl)oxy-2-phenylacetate
CID 7345361
2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxyacetamide
CID 770817
4-methyl-7-(2-naphthalen-2-yl-2-oxoethoxy)chromen-2-one
CID 882295
2-[[2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxyacetyl]amino]-2-phenylacetic acid
CID 3731948
propyl 2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxyacetate
CID 2271747
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(4-butyl-8-methyl-2-oxochromen-7-yl)oxy-N-methylacetamide
CID 110207606

Frequently Asked Questions

What is the IUPAC name of 4-butyl-8-methyl-7-(2-naphthalen-2-yl-2-oxoethoxy)chromen-2-one?
The IUPAC name of 4-butyl-8-methyl-7-(2-naphthalen-2-yl-2-oxoethoxy)chromen-2-one (CID 2292470) is 4-butyl-8-methyl-7-(2-naphthalen-2-yl-2-oxoethoxy)chromen-2-one.
What is the SMILES notation for 4-butyl-8-methyl-7-(2-naphthalen-2-yl-2-oxoethoxy)chromen-2-one?
The canonical SMILES for 4-butyl-8-methyl-7-(2-naphthalen-2-yl-2-oxoethoxy)chromen-2-one is CCCCc1cc(=O)oc2c(C)c(OCC(=O)c3ccc4ccccc4c3)ccc12.
What is the InChIKey of 4-butyl-8-methyl-7-(2-naphthalen-2-yl-2-oxoethoxy)chromen-2-one?
The InChIKey is GMIUITMATCDANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24O4/c1-3-4-7-20-15-25(28)30-26-17(2)24(13-12-22(20)26)29-16-23(27)21-11-10-18-8-5-6-9-19(18)14-21/h5-6,8-15H,3-4,7,16H2,1-2H3.
What are the key properties of 4-butyl-8-methyl-7-(2-naphthalen-2-yl-2-oxoethoxy)chromen-2-one?
4-butyl-8-methyl-7-(2-naphthalen-2-yl-2-oxoethoxy)chromen-2-one has a molecular weight of 400.47 g/mol, XLogP of 5.86, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-8-methyl-7-(2-naphthalen-2-yl-2-oxoethoxy)chromen-2-one is sourced from PubChem (CID 2292470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).