7-[2-(cyclohexylamino)ethoxy]-3-(4-methoxyphenyl)chromen-4-one

C24H27NO4 — CID 155521079

IUPAC7-[2-(cyclohexylamino)ethoxy]-3-(4-methoxyphenyl)chromen-4-one
SMILESCOc1ccc(-c2coc3cc(OCCNC4CCCCC4)ccc3c2=O)cc1
InChIInChI=1S/C24H27NO4/c1-27-19-9-7-17(8-10-19)22-16-29-23-15-20(11-12-21(23)24(22)26)28-14-13-25-18-5-3-2-4-6-18/h7-12,15-16,18,25H,2-6,13-14H2,1H3
InChIKeyAPLCUZRFHQDBEX-UHFFFAOYSA-N
MW393.48 g/mol
LogP4.77
Rot. Bonds7

About 7-[2-(cyclohexylamino)ethoxy]-3-(4-methoxyphenyl)chromen-4-one

7-[2-(cyclohexylamino)ethoxy]-3-(4-methoxyphenyl)chromen-4-one (PubChem CID 155521079) has the molecular formula C24H27NO4 and a molecular weight of 393.48 g/mol. Its IUPAC name is 7-[2-(cyclohexylamino)ethoxy]-3-(4-methoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name7-[2-(cyclohexylamino)ethoxy]-3-(4-methoxyphenyl)chromen-4-one
PubChem CID155521079
Molecular FormulaC24H27NO4
Molecular Weight393.48 g/mol
Exact Mass393.19
IUPAC Name7-[2-(cyclohexylamino)ethoxy]-3-(4-methoxyphenyl)chromen-4-one
SMILESCOc1ccc(-c2coc3cc(OCCNC4CCCCC4)ccc3c2=O)cc1
InChIInChI=1S/C24H27NO4/c1-27-19-9-7-17(8-10-19)22-16-29-23-15-20(11-12-21(23)24(22)26)28-14-13-25-18-5-3-2-4-6-18/h7-12,15-16,18,25H,2-6,13-14H2,1H3
InChIKeyAPLCUZRFHQDBEX-UHFFFAOYSA-N
XLogP4.77
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(cyclohexylamino)ethoxy]-3-(4-methoxyphenyl)chromen-4-one?
The IUPAC name of 7-[2-(cyclohexylamino)ethoxy]-3-(4-methoxyphenyl)chromen-4-one (CID 155521079) is 7-[2-(cyclohexylamino)ethoxy]-3-(4-methoxyphenyl)chromen-4-one.
What is the SMILES notation for 7-[2-(cyclohexylamino)ethoxy]-3-(4-methoxyphenyl)chromen-4-one?
The canonical SMILES for 7-[2-(cyclohexylamino)ethoxy]-3-(4-methoxyphenyl)chromen-4-one is COc1ccc(-c2coc3cc(OCCNC4CCCCC4)ccc3c2=O)cc1.
What is the InChIKey of 7-[2-(cyclohexylamino)ethoxy]-3-(4-methoxyphenyl)chromen-4-one?
The InChIKey is APLCUZRFHQDBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO4/c1-27-19-9-7-17(8-10-19)22-16-29-23-15-20(11-12-21(23)24(22)26)28-14-13-25-18-5-3-2-4-6-18/h7-12,15-16,18,25H,2-6,13-14H2,1H3.
What are the key properties of 7-[2-(cyclohexylamino)ethoxy]-3-(4-methoxyphenyl)chromen-4-one?
7-[2-(cyclohexylamino)ethoxy]-3-(4-methoxyphenyl)chromen-4-one has a molecular weight of 393.48 g/mol, XLogP of 4.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(cyclohexylamino)ethoxy]-3-(4-methoxyphenyl)chromen-4-one is sourced from PubChem (CID 155521079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).