(4S)-5,5-dimethyl-3-phenylspiro[1,3-oxazolidine-4,2'-benzo[g]chromene]-2-one

C23H19NO3 — CID 1108290

IUPAC(4S)-5,5-dimethyl-3-phenylspiro[1,3-oxazolidine-4,2'-benzo[g]chromene]-2-one
SMILESCC1(C)OC(=O)N(c2ccccc2)[C@]12C=Cc1cc3ccccc3cc1O2
InChIInChI=1S/C23H19NO3/c1-22(2)23(24(21(25)27-22)19-10-4-3-5-11-19)13-12-18-14-16-8-6-7-9-17(16)15-20(18)26-23/h3-15H,1-2H3/t23-/m0/s1
InChIKeyRFJOOKVTZSKSQH-QHCPKHFHSA-N
MW357.41 g/mol
LogP5.38
Rot. Bonds1

About (4S)-5,5-dimethyl-3-phenylspiro[1,3-oxazolidine-4,2'-benzo[g]chromene]-2-one

(4S)-5,5-dimethyl-3-phenylspiro[1,3-oxazolidine-4,2'-benzo[g]chromene]-2-one (PubChem CID 1108290) has the molecular formula C23H19NO3 and a molecular weight of 357.41 g/mol. Its IUPAC name is (4S)-5,5-dimethyl-3-phenylspiro[1,3-oxazolidine-4,2'-benzo[g]chromene]-2-one.

Molecular Properties

Compound Name(4S)-5,5-dimethyl-3-phenylspiro[1,3-oxazolidine-4,2'-benzo[g]chromene]-2-one
PubChem CID1108290
Molecular FormulaC23H19NO3
Molecular Weight357.41 g/mol
Exact Mass357.14
IUPAC Name(4S)-5,5-dimethyl-3-phenylspiro[1,3-oxazolidine-4,2'-benzo[g]chromene]-2-one
SMILESCC1(C)OC(=O)N(c2ccccc2)[C@]12C=Cc1cc3ccccc3cc1O2
InChIInChI=1S/C23H19NO3/c1-22(2)23(24(21(25)27-22)19-10-4-3-5-11-19)13-12-18-14-16-8-6-7-9-17(16)15-20(18)26-23/h3-15H,1-2H3/t23-/m0/s1
InChIKeyRFJOOKVTZSKSQH-QHCPKHFHSA-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

2,2-dimethylbenzo[g]chromene
CID 1218933
4-hydroxy-5,5-dimethyl-3,4-diphenyl-1,3-oxazolidin-2-one
CID 12654053
3',3'-dimethyl-1'-phenylspiro[chromene-2,2'-indole]
CID 16638566
(2S)-1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-carbaldehyde
CID 139060476
(3S)-3',3'-dimethyl-8-nitro-1'-phenylspiro[benzo[f]chromene-3,2'-indole]
CID 7230761
(4R)-4-hydroxy-4,5,5-trimethyl-3-pyridin-3-yl-1,3-oxazolidin-2-one
CID 691701
ethane;1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole]
CID 157271788
2-(3',3'-dimethylspiro[benzo[f]chromene-3,2'-indole]-1'-yl)nonadecanoic acid
CID 71216292
2-phenyl-N-(2,2,7-trimethylchromen-6-yl)propanamide
CID 54176266
ethyl 2-(3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)acetate
CID 58298819
3',3'-dimethyl-6-nitro-1'-prop-2-ynylspiro[chromene-2,2'-indole]
CID 102433038
1',3',3'-trimethyl-6-phenylmethoxyspiro[chromene-2,2'-indole]
CID 15339631

Frequently Asked Questions

What is the IUPAC name of (4S)-5,5-dimethyl-3-phenylspiro[1,3-oxazolidine-4,2'-benzo[g]chromene]-2-one?
The IUPAC name of (4S)-5,5-dimethyl-3-phenylspiro[1,3-oxazolidine-4,2'-benzo[g]chromene]-2-one (CID 1108290) is (4S)-5,5-dimethyl-3-phenylspiro[1,3-oxazolidine-4,2'-benzo[g]chromene]-2-one.
What is the SMILES notation for (4S)-5,5-dimethyl-3-phenylspiro[1,3-oxazolidine-4,2'-benzo[g]chromene]-2-one?
The canonical SMILES for (4S)-5,5-dimethyl-3-phenylspiro[1,3-oxazolidine-4,2'-benzo[g]chromene]-2-one is CC1(C)OC(=O)N(c2ccccc2)[C@]12C=Cc1cc3ccccc3cc1O2.
What is the InChIKey of (4S)-5,5-dimethyl-3-phenylspiro[1,3-oxazolidine-4,2'-benzo[g]chromene]-2-one?
The InChIKey is RFJOOKVTZSKSQH-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H19NO3/c1-22(2)23(24(21(25)27-22)19-10-4-3-5-11-19)13-12-18-14-16-8-6-7-9-17(16)15-20(18)26-23/h3-15H,1-2H3/t23-/m0/s1.
What are the key properties of (4S)-5,5-dimethyl-3-phenylspiro[1,3-oxazolidine-4,2'-benzo[g]chromene]-2-one?
(4S)-5,5-dimethyl-3-phenylspiro[1,3-oxazolidine-4,2'-benzo[g]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 (4S)-5,5-dimethyl-3-phenylspiro[1,3-oxazolidine-4,2'-benzo[g]chromene]-2-one is sourced from PubChem (CID 1108290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).