(2S,2'S)-2'-(3,4,5-trimethoxyphenyl)spiro[3H-indene-2,1'-cyclopropane]-1-one

C20H20O4 — CID 15473546

IUPAC(2S,2'S)-2'-(3,4,5-trimethoxyphenyl)spiro[3H-indene-2,1'-cyclopropane]-1-one
SMILESCOc1cc([C@@H]2C[C@]23Cc2ccccc2C3=O)cc(OC)c1OC
InChIInChI=1S/C20H20O4/c1-22-16-8-13(9-17(23-2)18(16)24-3)15-11-20(15)10-12-6-4-5-7-14(12)19(20)21/h4-9,15H,10-11H2,1-3H3/t15-,20+/m0/s1
InChIKeyMCWVVVHTJNIHQB-MGPUTAFESA-N
MW324.38 g/mol
LogP3.63
Rot. Bonds4

About (2S,2'S)-2'-(3,4,5-trimethoxyphenyl)spiro[3H-indene-2,1'-cyclopropane]-1-one

(2S,2'S)-2'-(3,4,5-trimethoxyphenyl)spiro[3H-indene-2,1'-cyclopropane]-1-one (PubChem CID 15473546) has the molecular formula C20H20O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is (2S,2'S)-2'-(3,4,5-trimethoxyphenyl)spiro[3H-indene-2,1'-cyclopropane]-1-one.

Molecular Properties

Compound Name(2S,2'S)-2'-(3,4,5-trimethoxyphenyl)spiro[3H-indene-2,1'-cyclopropane]-1-one
PubChem CID15473546
Molecular FormulaC20H20O4
Molecular Weight324.38 g/mol
Exact Mass324.14
IUPAC Name(2S,2'S)-2'-(3,4,5-trimethoxyphenyl)spiro[3H-indene-2,1'-cyclopropane]-1-one
SMILESCOc1cc([C@@H]2C[C@]23Cc2ccccc2C3=O)cc(OC)c1OC
InChIInChI=1S/C20H20O4/c1-22-16-8-13(9-17(23-2)18(16)24-3)15-11-20(15)10-12-6-4-5-7-14(12)19(20)21/h4-9,15H,10-11H2,1-3H3/t15-,20+/m0/s1
InChIKeyMCWVVVHTJNIHQB-MGPUTAFESA-N
XLogP3.63
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,2'S)-2'-(3-methoxyphenyl)spiro[3H-indene-2,1'-cyclopropane]-1-one
CID 15473548
(2S,2'S)-2'-(3-fluorophenyl)spiro[3H-indene-2,1'-cyclopropane]-1-one
CID 15473560
1',1'-dibromo-3'-(3,4,5-trimethoxyphenyl)spiro[3,4-dihydronaphthalene-2,2'-cyclopropane]-1-one
CID 78112026
(2S,2'S)-2'-(2,4,6-trimethylphenyl)spiro[3H-indene-2,1'-cyclopropane]-1-one
CID 15473558
(3S)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-isoquinolin-1-one
CID 102288826
4-(3,4,5-trimethoxyphenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-2-one
CID 17324314
4'-(4-methylsulfonylphenyl)-3'-(3,4,5-trimethoxyphenyl)spiro[3H-indene-2,5'-4H-1,2-oxazole]-1-one
CID 162664415
3-(3,4,5-trimethoxyphenyl)-3H-2-benzofuran-1-one
CID 59921138
3',4'-dimethoxy-2,2'-spirobi[3H-indene]-1,1'-dione
CID 91171114
3-(2-methoxyphenyl)-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 22587155
1-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-indene
CID 91416064
(3S,4R)-2-methyl-1-oxo-3-(3,4,5-trimethoxyphenyl)-3,4-dihydroisoquinoline-4-carboxylic acid
CID 10833023

Frequently Asked Questions

What is the IUPAC name of (2S,2'S)-2'-(3,4,5-trimethoxyphenyl)spiro[3H-indene-2,1'-cyclopropane]-1-one?
The IUPAC name of (2S,2'S)-2'-(3,4,5-trimethoxyphenyl)spiro[3H-indene-2,1'-cyclopropane]-1-one (CID 15473546) is (2S,2'S)-2'-(3,4,5-trimethoxyphenyl)spiro[3H-indene-2,1'-cyclopropane]-1-one.
What is the SMILES notation for (2S,2'S)-2'-(3,4,5-trimethoxyphenyl)spiro[3H-indene-2,1'-cyclopropane]-1-one?
The canonical SMILES for (2S,2'S)-2'-(3,4,5-trimethoxyphenyl)spiro[3H-indene-2,1'-cyclopropane]-1-one is COc1cc([C@@H]2C[C@]23Cc2ccccc2C3=O)cc(OC)c1OC.
What is the InChIKey of (2S,2'S)-2'-(3,4,5-trimethoxyphenyl)spiro[3H-indene-2,1'-cyclopropane]-1-one?
The InChIKey is MCWVVVHTJNIHQB-MGPUTAFESA-N. The full InChI is InChI=1S/C20H20O4/c1-22-16-8-13(9-17(23-2)18(16)24-3)15-11-20(15)10-12-6-4-5-7-14(12)19(20)21/h4-9,15H,10-11H2,1-3H3/t15-,20+/m0/s1.
What are the key properties of (2S,2'S)-2'-(3,4,5-trimethoxyphenyl)spiro[3H-indene-2,1'-cyclopropane]-1-one?
(2S,2'S)-2'-(3,4,5-trimethoxyphenyl)spiro[3H-indene-2,1'-cyclopropane]-1-one has a molecular weight of 324.38 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,2'S)-2'-(3,4,5-trimethoxyphenyl)spiro[3H-indene-2,1'-cyclopropane]-1-one is sourced from PubChem (CID 15473546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).