7-(1,3-dimethylazepan-4-yl)oxy-3-phenyl-2,3-dihydrochromen-4-one

C23H27NO3 — CID 21287332

IUPAC7-(1,3-dimethylazepan-4-yl)oxy-3-phenyl-2,3-dihydrochromen-4-one
SMILESCC1CN(C)CCCC1Oc1ccc2c(c1)OCC(c1ccccc1)C2=O
InChIInChI=1S/C23H27NO3/c1-16-14-24(2)12-6-9-21(16)27-18-10-11-19-22(13-18)26-15-20(23(19)25)17-7-4-3-5-8-17/h3-5,7-8,10-11,13,16,20-21H,6,9,12,14-15H2,1-2H3
InChIKeyZJDVUQYLMKKXGS-UHFFFAOYSA-N
MW365.47 g/mol
LogP4.15
Rot. Bonds3

About 7-(1,3-dimethylazepan-4-yl)oxy-3-phenyl-2,3-dihydrochromen-4-one

7-(1,3-dimethylazepan-4-yl)oxy-3-phenyl-2,3-dihydrochromen-4-one (PubChem CID 21287332) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is 7-(1,3-dimethylazepan-4-yl)oxy-3-phenyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name7-(1,3-dimethylazepan-4-yl)oxy-3-phenyl-2,3-dihydrochromen-4-one
PubChem CID21287332
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC Name7-(1,3-dimethylazepan-4-yl)oxy-3-phenyl-2,3-dihydrochromen-4-one
SMILESCC1CN(C)CCCC1Oc1ccc2c(c1)OCC(c1ccccc1)C2=O
InChIInChI=1S/C23H27NO3/c1-16-14-24(2)12-6-9-21(16)27-18-10-11-19-22(13-18)26-15-20(23(19)25)17-7-4-3-5-8-17/h3-5,7-8,10-11,13,16,20-21H,6,9,12,14-15H2,1-2H3
InChIKeyZJDVUQYLMKKXGS-UHFFFAOYSA-N
XLogP4.15
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(1,3-dimethylazepan-4-yl)oxy-3-phenyl-2,3-dihydrochromen-4-one?
The IUPAC name of 7-(1,3-dimethylazepan-4-yl)oxy-3-phenyl-2,3-dihydrochromen-4-one (CID 21287332) is 7-(1,3-dimethylazepan-4-yl)oxy-3-phenyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 7-(1,3-dimethylazepan-4-yl)oxy-3-phenyl-2,3-dihydrochromen-4-one?
The canonical SMILES for 7-(1,3-dimethylazepan-4-yl)oxy-3-phenyl-2,3-dihydrochromen-4-one is CC1CN(C)CCCC1Oc1ccc2c(c1)OCC(c1ccccc1)C2=O.
What is the InChIKey of 7-(1,3-dimethylazepan-4-yl)oxy-3-phenyl-2,3-dihydrochromen-4-one?
The InChIKey is ZJDVUQYLMKKXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO3/c1-16-14-24(2)12-6-9-21(16)27-18-10-11-19-22(13-18)26-15-20(23(19)25)17-7-4-3-5-8-17/h3-5,7-8,10-11,13,16,20-21H,6,9,12,14-15H2,1-2H3.
What are the key properties of 7-(1,3-dimethylazepan-4-yl)oxy-3-phenyl-2,3-dihydrochromen-4-one?
7-(1,3-dimethylazepan-4-yl)oxy-3-phenyl-2,3-dihydrochromen-4-one has a molecular weight of 365.47 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,3-dimethylazepan-4-yl)oxy-3-phenyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 21287332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).