(2'R,3R)-2'-(4-fluorophenyl)-4,6-dimethoxy-1-methylspiro[indole-3,4'-oxane]-2-one

C21H22FNO4 — CID 139044527

IUPAC(2'R,3R)-2'-(4-fluorophenyl)-4,6-dimethoxy-1-methylspiro[indole-3,4'-oxane]-2-one
SMILESCOc1cc(OC)c2c(c1)N(C)C(=O)[C@@]21CCO[C@@H](c2ccc(F)cc2)C1
InChIInChI=1S/C21H22FNO4/c1-23-16-10-15(25-2)11-17(26-3)19(16)21(20(23)24)8-9-27-18(12-21)13-4-6-14(22)7-5-13/h4-7,10-11,18H,8-9,12H2,1-3H3/t18-,21-/m1/s1
InChIKeyUGBRTICBSNPNJM-WIYYLYMNSA-N
MW371.41 g/mol
LogP3.61
Rot. Bonds3

About (2'R,3R)-2'-(4-fluorophenyl)-4,6-dimethoxy-1-methylspiro[indole-3,4'-oxane]-2-one

(2'R,3R)-2'-(4-fluorophenyl)-4,6-dimethoxy-1-methylspiro[indole-3,4'-oxane]-2-one (PubChem CID 139044527) has the molecular formula C21H22FNO4 and a molecular weight of 371.41 g/mol. Its IUPAC name is (2'R,3R)-2'-(4-fluorophenyl)-4,6-dimethoxy-1-methylspiro[indole-3,4'-oxane]-2-one.

Molecular Properties

Compound Name(2'R,3R)-2'-(4-fluorophenyl)-4,6-dimethoxy-1-methylspiro[indole-3,4'-oxane]-2-one
PubChem CID139044527
Molecular FormulaC21H22FNO4
Molecular Weight371.41 g/mol
Exact Mass371.15
IUPAC Name(2'R,3R)-2'-(4-fluorophenyl)-4,6-dimethoxy-1-methylspiro[indole-3,4'-oxane]-2-one
SMILESCOc1cc(OC)c2c(c1)N(C)C(=O)[C@@]21CCO[C@@H](c2ccc(F)cc2)C1
InChIInChI=1S/C21H22FNO4/c1-23-16-10-15(25-2)11-17(26-3)19(16)21(20(23)24)8-9-27-18(12-21)13-4-6-14(22)7-5-13/h4-7,10-11,18H,8-9,12H2,1-3H3/t18-,21-/m1/s1
InChIKeyUGBRTICBSNPNJM-WIYYLYMNSA-N
XLogP3.61
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2'R,3R)-2'-(4-fluorophenyl)-4,6-dimethoxy-1-methylspiro[indole-3,4'-oxane]-2-one with MolForge

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Related Compounds

5,7-Dimethoxy-3-(4-methoxyphenyl)-1-methyl-1,2-dihydroquinolin-2-one
CID 11067335
5,6-difluoro-1'-pentylspiro[1-benzofuran-3,3'-indol]-2'(1'H)-one
CID 11998468
6-methoxy-1'-pentylspiro[1-benzofuran-3,3'-indol]-2'(1H)-one
CID 59263528
6-methoxy-1'-(tetrahydro-2H-pyran-2-ylmethyl)spiro[1-benzofuran-3,3'-indol]-2'(1'H)-one
CID 59352665
6-methoxy-1'-[(2R)-tetrahydrofuran-2-ylmethyl]spiro[1-benzofuran-3,3'-indol]-2'(1'H)-one
CID 59352762
3-(2,4-Dimethoxyphenyl)-1-methyl-3-phenylindol-2-one
CID 101572049
3-(2,4-Dimethoxyphenyl)-1-methyl-3-prop-2-enylindol-2-one
CID 139255181
4,6-Dimethoxy-1,3-dimethyl-3-(2,2,2-trifluoroethyl)indol-2-one
CID 101896608
tert-butyl N-[(3R)-1-benzyl-5-fluoro-2-oxo-3-(2,4,6-trimethoxyphenyl)indol-3-yl]carbamate
CID 135034232
3-Fluoro-6-methoxy-1-methyl-3-[2-(trifluoromethyl)phenyl]indol-2-one
CID 135063196
6-Methoxy-1,3-dimethyl-3-(2,2,2-trifluoroethyl)indol-2-one
CID 166442421
6-Methoxy-1,3-dimethyl-3-phenylindol-2-one
CID 102298950

Frequently Asked Questions

What is the IUPAC name of (2'R,3R)-2'-(4-fluorophenyl)-4,6-dimethoxy-1-methylspiro[indole-3,4'-oxane]-2-one?
The IUPAC name of (2'R,3R)-2'-(4-fluorophenyl)-4,6-dimethoxy-1-methylspiro[indole-3,4'-oxane]-2-one (CID 139044527) is (2'R,3R)-2'-(4-fluorophenyl)-4,6-dimethoxy-1-methylspiro[indole-3,4'-oxane]-2-one.
What is the SMILES notation for (2'R,3R)-2'-(4-fluorophenyl)-4,6-dimethoxy-1-methylspiro[indole-3,4'-oxane]-2-one?
The canonical SMILES for (2'R,3R)-2'-(4-fluorophenyl)-4,6-dimethoxy-1-methylspiro[indole-3,4'-oxane]-2-one is COc1cc(OC)c2c(c1)N(C)C(=O)[C@@]21CCO[C@@H](c2ccc(F)cc2)C1.
What is the InChIKey of (2'R,3R)-2'-(4-fluorophenyl)-4,6-dimethoxy-1-methylspiro[indole-3,4'-oxane]-2-one?
The InChIKey is UGBRTICBSNPNJM-WIYYLYMNSA-N. The full InChI is InChI=1S/C21H22FNO4/c1-23-16-10-15(25-2)11-17(26-3)19(16)21(20(23)24)8-9-27-18(12-21)13-4-6-14(22)7-5-13/h4-7,10-11,18H,8-9,12H2,1-3H3/t18-,21-/m1/s1.
What are the key properties of (2'R,3R)-2'-(4-fluorophenyl)-4,6-dimethoxy-1-methylspiro[indole-3,4'-oxane]-2-one?
(2'R,3R)-2'-(4-fluorophenyl)-4,6-dimethoxy-1-methylspiro[indole-3,4'-oxane]-2-one has a molecular weight of 371.41 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2'R,3R)-2'-(4-fluorophenyl)-4,6-dimethoxy-1-methylspiro[indole-3,4'-oxane]-2-one is sourced from PubChem (CID 139044527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).