2-[4,8-dimethyl-7-(naphthalen-2-ylmethoxy)-2-oxochromen-3-yl]acetate

C24H19O5- — CID 7083931

IUPAC2-[4,8-dimethyl-7-(naphthalen-2-ylmethoxy)-2-oxochromen-3-yl]acetate
SMILESCc1c(CC(=O)[O-])c(=O)oc2c(C)c(OCc3ccc4ccccc4c3)ccc12
InChIInChI=1S/C24H20O5/c1-14-19-9-10-21(15(2)23(19)29-24(27)20(14)12-22(25)26)28-13-16-7-8-17-5-3-4-6-18(17)11-16/h3-11H,12-13H2,1-2H3,(H,25,26)/p-1
InChIKeyYLZWOTOTSYYLPU-UHFFFAOYSA-M
MW387.41 g/mol
LogP3.43
Rot. Bonds5

About 2-[4,8-dimethyl-7-(naphthalen-2-ylmethoxy)-2-oxochromen-3-yl]acetate

2-[4,8-dimethyl-7-(naphthalen-2-ylmethoxy)-2-oxochromen-3-yl]acetate (PubChem CID 7083931) has the molecular formula C24H19O5- and a molecular weight of 387.41 g/mol. Its IUPAC name is 2-[4,8-dimethyl-7-(naphthalen-2-ylmethoxy)-2-oxochromen-3-yl]acetate.

Molecular Properties

Compound Name2-[4,8-dimethyl-7-(naphthalen-2-ylmethoxy)-2-oxochromen-3-yl]acetate
PubChem CID7083931
Molecular FormulaC24H19O5-
Molecular Weight387.41 g/mol
Exact Mass387.12
IUPAC Name2-[4,8-dimethyl-7-(naphthalen-2-ylmethoxy)-2-oxochromen-3-yl]acetate
SMILESCc1c(CC(=O)[O-])c(=O)oc2c(C)c(OCc3ccc4ccccc4c3)ccc12
InChIInChI=1S/C24H20O5/c1-14-19-9-10-21(15(2)23(19)29-24(27)20(14)12-22(25)26)28-13-16-7-8-17-5-3-4-6-18(17)11-16/h3-11H,12-13H2,1-2H3,(H,25,26)/p-1
InChIKeyYLZWOTOTSYYLPU-UHFFFAOYSA-M
XLogP3.43
TPSA79.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4,8-dimethyl-7-[(3-methylphenyl)methoxy]-3-(2-oxopropyl)chromen-2-one
CID 163639139
2-[4,8-dimethyl-7-(3-methylbut-2-enoxy)-2-oxochromen-3-yl]acetate
CID 7083781
3-[4,8-dimethyl-2-oxo-7-[(4-phenylphenyl)methoxy]chromen-3-yl]propanoic acid
CID 71462562
2-[7-[(2-iodophenyl)methoxy]-4,8-dimethyl-2-oxochromen-3-yl]acetic acid
CID 155531834
7-[(2-iodophenyl)methoxy]-4,8-dimethyl-3-(2-oxopropyl)chromen-2-one
CID 163862292
methyl 2-[7-[(2-methoxyphenyl)methoxy]-4,8-dimethyl-2-oxochromen-3-yl]acetate
CID 1332937
methyl 3-[4,8-dimethyl-7-(naphthalen-1-ylmethoxy)-2-oxochromen-3-yl]propanoate
CID 45271668
2-[7-[(4-chlorophenyl)methoxy]-4-methyl-2-oxochromen-3-yl]acetate
CID 7447692
2-[4,8-dimethyl-2-oxo-7-[[3-(trifluoromethyl)phenyl]methoxy]chromen-3-yl]acetic acid;2-[7-[(3-iodophenyl)methoxy]-4,8-dimethyl-2-oxochromen-3-yl]acetic acid
CID 163607907
4,8-dimethyl-7-[[3-methyl-5-(trifluoromethyl)phenyl]methoxy]-3-(2-oxopropyl)chromen-2-one
CID 163710421
2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetate
CID 5140703
ethyl 3-[7-[(4-ethenylphenyl)methoxy]-4,8-dimethyl-2-oxochromen-3-yl]propanoate
CID 1296102

Frequently Asked Questions

What is the IUPAC name of 2-[4,8-dimethyl-7-(naphthalen-2-ylmethoxy)-2-oxochromen-3-yl]acetate?
The IUPAC name of 2-[4,8-dimethyl-7-(naphthalen-2-ylmethoxy)-2-oxochromen-3-yl]acetate (CID 7083931) is 2-[4,8-dimethyl-7-(naphthalen-2-ylmethoxy)-2-oxochromen-3-yl]acetate.
What is the SMILES notation for 2-[4,8-dimethyl-7-(naphthalen-2-ylmethoxy)-2-oxochromen-3-yl]acetate?
The canonical SMILES for 2-[4,8-dimethyl-7-(naphthalen-2-ylmethoxy)-2-oxochromen-3-yl]acetate is Cc1c(CC(=O)[O-])c(=O)oc2c(C)c(OCc3ccc4ccccc4c3)ccc12.
What is the InChIKey of 2-[4,8-dimethyl-7-(naphthalen-2-ylmethoxy)-2-oxochromen-3-yl]acetate?
The InChIKey is YLZWOTOTSYYLPU-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H20O5/c1-14-19-9-10-21(15(2)23(19)29-24(27)20(14)12-22(25)26)28-13-16-7-8-17-5-3-4-6-18(17)11-16/h3-11H,12-13H2,1-2H3,(H,25,26)/p-1.
What are the key properties of 2-[4,8-dimethyl-7-(naphthalen-2-ylmethoxy)-2-oxochromen-3-yl]acetate?
2-[4,8-dimethyl-7-(naphthalen-2-ylmethoxy)-2-oxochromen-3-yl]acetate has a molecular weight of 387.41 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,8-dimethyl-7-(naphthalen-2-ylmethoxy)-2-oxochromen-3-yl]acetate is sourced from PubChem (CID 7083931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).