5,5-dimethyl-3-phenylspiro[1,3-oxazolidine-4,3'-benzo[f]chromene]-2-one

C23H19NO3 — CID 597891

IUPAC5,5-dimethyl-3-phenylspiro[1,3-oxazolidine-4,3'-benzo[f]chromene]-2-one
SMILESCC1(C)OC(=O)N(c2ccccc2)C12C=Cc1c(ccc3ccccc13)O2
InChIInChI=1S/C23H19NO3/c1-22(2)23(24(21(25)27-22)17-9-4-3-5-10-17)15-14-19-18-11-7-6-8-16(18)12-13-20(19)26-23/h3-15H,1-2H3
InChIKeyMXXBBRWOXKNIBO-UHFFFAOYSA-N
MW357.41 g/mol
LogP5.38
Rot. Bonds1

About 5,5-dimethyl-3-phenylspiro[1,3-oxazolidine-4,3'-benzo[f]chromene]-2-one

5,5-dimethyl-3-phenylspiro[1,3-oxazolidine-4,3'-benzo[f]chromene]-2-one (PubChem CID 597891) has the molecular formula C23H19NO3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 5,5-dimethyl-3-phenylspiro[1,3-oxazolidine-4,3'-benzo[f]chromene]-2-one.

Molecular Properties

Compound Name5,5-dimethyl-3-phenylspiro[1,3-oxazolidine-4,3'-benzo[f]chromene]-2-one
PubChem CID597891
Molecular FormulaC23H19NO3
Molecular Weight357.41 g/mol
Exact Mass357.14
IUPAC Name5,5-dimethyl-3-phenylspiro[1,3-oxazolidine-4,3'-benzo[f]chromene]-2-one
SMILESCC1(C)OC(=O)N(c2ccccc2)C12C=Cc1c(ccc3ccccc13)O2
InChIInChI=1S/C23H19NO3/c1-22(2)23(24(21(25)27-22)17-9-4-3-5-10-17)15-14-19-18-11-7-6-8-16(18)12-13-20(19)26-23/h3-15H,1-2H3
InChIKeyMXXBBRWOXKNIBO-UHFFFAOYSA-N
XLogP5.38
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.41
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(N-methylanilino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 2583233
(3,8-dimethyl-5-propan-2-ylnaphthalen-2-yl) N-phenylcarbamate
CID 132569684
5',5',6-Trimethyl-3'-phenyl-spiro[chromene-2,4'-oxazolidine]-2'-thione
CID 392265
1,3,3-Trimethylindolino-beta-naphthopyrylospiran
CID 2728827
1',3',3'-Trimethylspiro[benzo[g]chromene-2,2'-indole]
CID 2853337
5',5'-Dimethyl-3'-phenyl-spiro[benzo[g]chromene-2,4'-oxazolidine]-2'-thione
CID 392266
3-(2-(naphthalen-1-yloxy)ethyl)benzo[d]oxazol-2(3H)-one
CID 1082639
3-(2-(naphthalen-2-yloxy)ethyl)benzo[d]oxazol-2(3H)-one
CID 1090484
5',5'-dimethyl-3'-phenyl-spiro[2H-benzo[g]chromene-2,4'=1,3-oxazolidine]-2'-one
CID 3120511
3-[3-(naphthalen-2-yloxy)propyl]-1,3-benzoxazol-2(3H)-one
CID 3153322
1,3,3-Trimethylspiro[indoline-2,3'-[3H]-naphtho[2,1-b]pyran]
CID 1897521
1-{[Acetyl(4-methylphenyl)amino]methyl}naphthalen-2-yl acetate
CID 240957

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-phenylspiro[1,3-oxazolidine-4,3'-benzo[f]chromene]-2-one?
The IUPAC name of 5,5-dimethyl-3-phenylspiro[1,3-oxazolidine-4,3'-benzo[f]chromene]-2-one (CID 597891) is 5,5-dimethyl-3-phenylspiro[1,3-oxazolidine-4,3'-benzo[f]chromene]-2-one.
What is the SMILES notation for 5,5-dimethyl-3-phenylspiro[1,3-oxazolidine-4,3'-benzo[f]chromene]-2-one?
The canonical SMILES for 5,5-dimethyl-3-phenylspiro[1,3-oxazolidine-4,3'-benzo[f]chromene]-2-one is CC1(C)OC(=O)N(c2ccccc2)C12C=Cc1c(ccc3ccccc13)O2.
What is the InChIKey of 5,5-dimethyl-3-phenylspiro[1,3-oxazolidine-4,3'-benzo[f]chromene]-2-one?
The InChIKey is MXXBBRWOXKNIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO3/c1-22(2)23(24(21(25)27-22)17-9-4-3-5-10-17)15-14-19-18-11-7-6-8-16(18)12-13-20(19)26-23/h3-15H,1-2H3.
What are the key properties of 5,5-dimethyl-3-phenylspiro[1,3-oxazolidine-4,3'-benzo[f]chromene]-2-one?
5,5-dimethyl-3-phenylspiro[1,3-oxazolidine-4,3'-benzo[f]chromene]-2-one has a molecular weight of 357.41 g/mol, XLogP of 5.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-phenylspiro[1,3-oxazolidine-4,3'-benzo[f]chromene]-2-one is sourced from PubChem (CID 597891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).