benzyl 2-(3-naphthalen-2-yloxy-4-oxochromen-7-yl)oxybutanoate

C30H24O6 — CID 23879037

IUPACbenzyl 2-(3-naphthalen-2-yloxy-4-oxochromen-7-yl)oxybutanoate
SMILESCCC(Oc1ccc2c(=O)c(Oc3ccc4ccccc4c3)coc2c1)C(=O)OCc1ccccc1
InChIInChI=1S/C30H24O6/c1-2-26(30(32)34-18-20-8-4-3-5-9-20)35-24-14-15-25-27(17-24)33-19-28(29(25)31)36-23-13-12-21-10-6-7-11-22(21)16-23/h3-17,19,26H,2,18H2,1H3
InChIKeyQNWJPQYYMSRLKF-UHFFFAOYSA-N
MW480.52 g/mol
LogP6.64
Rot. Bonds8

About benzyl 2-(3-naphthalen-2-yloxy-4-oxochromen-7-yl)oxybutanoate

benzyl 2-(3-naphthalen-2-yloxy-4-oxochromen-7-yl)oxybutanoate (PubChem CID 23879037) has the molecular formula C30H24O6 and a molecular weight of 480.52 g/mol. Its IUPAC name is benzyl 2-(3-naphthalen-2-yloxy-4-oxochromen-7-yl)oxybutanoate.

Molecular Properties

Compound Namebenzyl 2-(3-naphthalen-2-yloxy-4-oxochromen-7-yl)oxybutanoate
PubChem CID23879037
Molecular FormulaC30H24O6
Molecular Weight480.52 g/mol
Exact Mass480.16
IUPAC Namebenzyl 2-(3-naphthalen-2-yloxy-4-oxochromen-7-yl)oxybutanoate
SMILESCCC(Oc1ccc2c(=O)c(Oc3ccc4ccccc4c3)coc2c1)C(=O)OCc1ccccc1
InChIInChI=1S/C30H24O6/c1-2-26(30(32)34-18-20-8-4-3-5-9-20)35-24-14-15-25-27(17-24)33-19-28(29(25)31)36-23-13-12-21-10-6-7-11-22(21)16-23/h3-17,19,26H,2,18H2,1H3
InChIKeyQNWJPQYYMSRLKF-UHFFFAOYSA-N
XLogP6.64
TPSA74.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.52
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(3-naphthalen-2-yloxy-4-oxochromen-7-yl)oxypropanoate
CID 2790491
2-ethoxyethyl 2-(3-naphthalen-2-yloxy-4-oxochromen-7-yl)oxypropanoate
CID 3358856
7-hydroxy-3-naphthalen-2-yloxychromen-4-one
CID 5398531
benzyl 2-[3-(4-methoxyphenoxy)-4-oxochromen-7-yl]oxyacetate
CID 1182996
(4-oxo-3-phenoxychromen-7-yl) (2S,3R)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoate
CID 6578579
benzyl 2-(6-oxobenzo[c]chromen-3-yl)oxybutanoate
CID 23736487
(4-oxo-3-phenoxychromen-7-yl) (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate
CID 1287018
methyl 2-(4-oxo-3-phenylchromen-7-yl)oxybutanoate
CID 23987620
2-(4-oxo-3-phenoxychromen-7-yl)oxypropanoic acid
CID 21180140
propyl 2-[4-oxo-3-(4-phenylphenoxy)chromen-7-yl]oxypropanoate
CID 4106290
(4-oxo-3-phenoxychromen-7-yl) 2-aminopropanoate
CID 21204069
ethyl (2R)-2-[3-(4-methoxyphenoxy)-4-oxochromen-7-yl]oxypropanoate
CID 1184521

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(3-naphthalen-2-yloxy-4-oxochromen-7-yl)oxybutanoate?
The IUPAC name of benzyl 2-(3-naphthalen-2-yloxy-4-oxochromen-7-yl)oxybutanoate (CID 23879037) is benzyl 2-(3-naphthalen-2-yloxy-4-oxochromen-7-yl)oxybutanoate.
What is the SMILES notation for benzyl 2-(3-naphthalen-2-yloxy-4-oxochromen-7-yl)oxybutanoate?
The canonical SMILES for benzyl 2-(3-naphthalen-2-yloxy-4-oxochromen-7-yl)oxybutanoate is CCC(Oc1ccc2c(=O)c(Oc3ccc4ccccc4c3)coc2c1)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-(3-naphthalen-2-yloxy-4-oxochromen-7-yl)oxybutanoate?
The InChIKey is QNWJPQYYMSRLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24O6/c1-2-26(30(32)34-18-20-8-4-3-5-9-20)35-24-14-15-25-27(17-24)33-19-28(29(25)31)36-23-13-12-21-10-6-7-11-22(21)16-23/h3-17,19,26H,2,18H2,1H3.
What are the key properties of benzyl 2-(3-naphthalen-2-yloxy-4-oxochromen-7-yl)oxybutanoate?
benzyl 2-(3-naphthalen-2-yloxy-4-oxochromen-7-yl)oxybutanoate has a molecular weight of 480.52 g/mol, XLogP of 6.64, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(3-naphthalen-2-yloxy-4-oxochromen-7-yl)oxybutanoate is sourced from PubChem (CID 23879037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).