2-(2-oxochromen-6-yl)oxyethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate

C25H22O6 — CID 155549268

IUPAC2-(2-oxochromen-6-yl)oxyethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
SMILESCOc1ccc2cc([C@H](C)C(=O)OCCOc3ccc4oc(=O)ccc4c3)ccc2c1
InChIInChI=1S/C25H22O6/c1-16(17-3-4-19-14-21(28-2)7-5-18(19)13-17)25(27)30-12-11-29-22-8-9-23-20(15-22)6-10-24(26)31-23/h3-10,13-16H,11-12H2,1-2H3/t16-/m0/s1
InChIKeyYEPXPARTWWNCTB-INIZCTEOSA-N
MW418.45 g/mol
LogP4.68
Rot. Bonds7

About 2-(2-oxochromen-6-yl)oxyethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate

2-(2-oxochromen-6-yl)oxyethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate (PubChem CID 155549268) has the molecular formula C25H22O6 and a molecular weight of 418.45 g/mol. Its IUPAC name is 2-(2-oxochromen-6-yl)oxyethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate.

Molecular Properties

Compound Name2-(2-oxochromen-6-yl)oxyethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
PubChem CID155549268
Molecular FormulaC25H22O6
Molecular Weight418.45 g/mol
Exact Mass418.14
IUPAC Name2-(2-oxochromen-6-yl)oxyethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
SMILESCOc1ccc2cc([C@H](C)C(=O)OCCOc3ccc4oc(=O)ccc4c3)ccc2c1
InChIInChI=1S/C25H22O6/c1-16(17-3-4-19-14-21(28-2)7-5-18(19)13-17)25(27)30-12-11-29-22-8-9-23-20(15-22)6-10-24(26)31-23/h3-10,13-16H,11-12H2,1-2H3/t16-/m0/s1
InChIKeyYEPXPARTWWNCTB-INIZCTEOSA-N
XLogP4.68
TPSA74.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxochromen-6-yl)oxyethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
The IUPAC name of 2-(2-oxochromen-6-yl)oxyethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate (CID 155549268) is 2-(2-oxochromen-6-yl)oxyethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate.
What is the SMILES notation for 2-(2-oxochromen-6-yl)oxyethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
The canonical SMILES for 2-(2-oxochromen-6-yl)oxyethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate is COc1ccc2cc([C@H](C)C(=O)OCCOc3ccc4oc(=O)ccc4c3)ccc2c1.
What is the InChIKey of 2-(2-oxochromen-6-yl)oxyethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
The InChIKey is YEPXPARTWWNCTB-INIZCTEOSA-N. The full InChI is InChI=1S/C25H22O6/c1-16(17-3-4-19-14-21(28-2)7-5-18(19)13-17)25(27)30-12-11-29-22-8-9-23-20(15-22)6-10-24(26)31-23/h3-10,13-16H,11-12H2,1-2H3/t16-/m0/s1.
What are the key properties of 2-(2-oxochromen-6-yl)oxyethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
2-(2-oxochromen-6-yl)oxyethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate has a molecular weight of 418.45 g/mol, XLogP of 4.68, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxochromen-6-yl)oxyethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate is sourced from PubChem (CID 155549268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).