(4-oxo-3-phenyl-4a,5,6,7,8,8a-hexahydrochromen-7-yl) morpholine-4-carboxylate

C20H23NO5 — CID 78236544

IUPAC(4-oxo-3-phenyl-4a,5,6,7,8,8a-hexahydrochromen-7-yl) morpholine-4-carboxylate
SMILESO=C1C(c2ccccc2)=COC2CC(OC(=O)N3CCOCC3)CCC12
InChIInChI=1S/C20H23NO5/c22-19-16-7-6-15(26-20(23)21-8-10-24-11-9-21)12-18(16)25-13-17(19)14-4-2-1-3-5-14/h1-5,13,15-16,18H,6-12H2
InChIKeyRIHYWIFMWBLBMY-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.63
Rot. Bonds2

About (4-oxo-3-phenyl-4a,5,6,7,8,8a-hexahydrochromen-7-yl) morpholine-4-carboxylate

(4-oxo-3-phenyl-4a,5,6,7,8,8a-hexahydrochromen-7-yl) morpholine-4-carboxylate (PubChem CID 78236544) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is (4-oxo-3-phenyl-4a,5,6,7,8,8a-hexahydrochromen-7-yl) morpholine-4-carboxylate.

Molecular Properties

Compound Name(4-oxo-3-phenyl-4a,5,6,7,8,8a-hexahydrochromen-7-yl) morpholine-4-carboxylate
PubChem CID78236544
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Name(4-oxo-3-phenyl-4a,5,6,7,8,8a-hexahydrochromen-7-yl) morpholine-4-carboxylate
SMILESO=C1C(c2ccccc2)=COC2CC(OC(=O)N3CCOCC3)CCC12
InChIInChI=1S/C20H23NO5/c22-19-16-7-6-15(26-20(23)21-8-10-24-11-9-21)12-18(16)25-13-17(19)14-4-2-1-3-5-14/h1-5,13,15-16,18H,6-12H2
InChIKeyRIHYWIFMWBLBMY-UHFFFAOYSA-N
XLogP2.63
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(2-bromophenoxy)-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-7-yl] morpholine-4-carboxylate
CID 78226091
[3-(4-chlorophenyl)-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-7-yl] acetate
CID 78211601
[3-(4-bromophenyl)-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-7-yl] cyclopropanecarboxylate
CID 78255167
7-(3-chloropropoxy)-3-phenyl-4a,5,6,7,8,8a-hexahydrochromen-4-one
CID 76845658
7-[(4-bromophenyl)methoxy]-3-phenyl-4a,5,6,7,8,8a-hexahydrochromen-4-one
CID 78255742
[(1S,3S,4S)-3-(hydroxycarbamoyl)-4-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexyl] morpholine-4-carboxylate
CID 87348584
[3-(2-methoxyphenoxy)-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-7-yl] benzoate
CID 78236582
[3-(4-methoxyphenyl)-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-7-yl] 4-nitrobenzoate
CID 78256188
propan-2-yl 2-[[3-(4-chlorophenyl)-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-7-yl]oxy]acetate
CID 78221999
3-(4-bromophenyl)-7-[2-(4-ethylpiperazin-1-yl)ethoxy]-4a,5,6,7,8,8a-hexahydrochromen-4-one
CID 73401656
cyclohexyl 2-[[3-(2-methoxyphenyl)-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-7-yl]oxy]acetate
CID 78222004
[3-(3-methoxyphenoxy)-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-7-yl] 2-bromobenzoate
CID 78224357

Frequently Asked Questions

What is the IUPAC name of (4-oxo-3-phenyl-4a,5,6,7,8,8a-hexahydrochromen-7-yl) morpholine-4-carboxylate?
The IUPAC name of (4-oxo-3-phenyl-4a,5,6,7,8,8a-hexahydrochromen-7-yl) morpholine-4-carboxylate (CID 78236544) is (4-oxo-3-phenyl-4a,5,6,7,8,8a-hexahydrochromen-7-yl) morpholine-4-carboxylate.
What is the SMILES notation for (4-oxo-3-phenyl-4a,5,6,7,8,8a-hexahydrochromen-7-yl) morpholine-4-carboxylate?
The canonical SMILES for (4-oxo-3-phenyl-4a,5,6,7,8,8a-hexahydrochromen-7-yl) morpholine-4-carboxylate is O=C1C(c2ccccc2)=COC2CC(OC(=O)N3CCOCC3)CCC12.
What is the InChIKey of (4-oxo-3-phenyl-4a,5,6,7,8,8a-hexahydrochromen-7-yl) morpholine-4-carboxylate?
The InChIKey is RIHYWIFMWBLBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c22-19-16-7-6-15(26-20(23)21-8-10-24-11-9-21)12-18(16)25-13-17(19)14-4-2-1-3-5-14/h1-5,13,15-16,18H,6-12H2.
What are the key properties of (4-oxo-3-phenyl-4a,5,6,7,8,8a-hexahydrochromen-7-yl) morpholine-4-carboxylate?
(4-oxo-3-phenyl-4a,5,6,7,8,8a-hexahydrochromen-7-yl) morpholine-4-carboxylate has a molecular weight of 357.41 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-oxo-3-phenyl-4a,5,6,7,8,8a-hexahydrochromen-7-yl) morpholine-4-carboxylate is sourced from PubChem (CID 78236544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).