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

C18H16O2 — CID 15473548

IUPAC(2S,2'S)-2'-(3-methoxyphenyl)spiro[3H-indene-2,1'-cyclopropane]-1-one
SMILESCOc1cccc([C@@H]2C[C@]23Cc2ccccc2C3=O)c1
InChIInChI=1S/C18H16O2/c1-20-14-7-4-6-12(9-14)16-11-18(16)10-13-5-2-3-8-15(13)17(18)19/h2-9,16H,10-11H2,1H3/t16-,18+/m0/s1
InChIKeyYFDBAYNVQNFRHI-FUHWJXTLSA-N
MW264.32 g/mol
LogP3.61
Rot. Bonds2

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

(2S,2'S)-2'-(3-methoxyphenyl)spiro[3H-indene-2,1'-cyclopropane]-1-one (PubChem CID 15473548) has the molecular formula C18H16O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is (2S,2'S)-2'-(3-methoxyphenyl)spiro[3H-indene-2,1'-cyclopropane]-1-one.

Molecular Properties

Compound Name(2S,2'S)-2'-(3-methoxyphenyl)spiro[3H-indene-2,1'-cyclopropane]-1-one
PubChem CID15473548
Molecular FormulaC18H16O2
Molecular Weight264.32 g/mol
Exact Mass264.12
IUPAC Name(2S,2'S)-2'-(3-methoxyphenyl)spiro[3H-indene-2,1'-cyclopropane]-1-one
SMILESCOc1cccc([C@@H]2C[C@]23Cc2ccccc2C3=O)c1
InChIInChI=1S/C18H16O2/c1-20-14-7-4-6-12(9-14)16-11-18(16)10-13-5-2-3-8-15(13)17(18)19/h2-9,16H,10-11H2,1H3/t16-,18+/m0/s1
InChIKeyYFDBAYNVQNFRHI-FUHWJXTLSA-N
XLogP3.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2S,2'S)-2'-(3-methoxyphenyl)spiro[3H-indene-2,1'-cyclopropane]-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S,5S)-4-(3-methoxyphenyl)spiro[3,4-dihydropyrazole-5,2'-3H-indene]-1'-one
CID 7200871
dimethyl 2-(3-methoxyphenyl)cyclopropane-1,1-dicarboxylate
CID 132540324
4-(3-methoxyphenyl)-3,3-dimethyl-2,4-dihydro-1H-isoquinoline
CID 12640128
2-[2-(3-methoxyphenyl)aziridin-1-yl]isoindole-1,3-dione
CID 13275798
(8R)-8-(3-methoxyphenyl)-6-azaspiro[3.4]octan-5-one
CID 125450834
(2'R)-2'-(3-methoxyphenyl)spiro[1,3-diazinane-5,3'-2,4-dihydrochromene]-2,4,6-trione
CID 125430159
2-(3-methoxyphenyl)-1,3-dioxolane
CID 11062994
(2R)-2-(3-methoxyphenyl)cyclobutan-1-one
CID 129415891
(2R)-2-(3-methoxyphenyl)-4,4-dimethylcyclohexan-1-one
CID 124560423
5-hydroxy-4-(3-methoxyphenyl)-5-methylpyrrolidin-2-one
CID 71170186
cis-(1S,2R)-1-ethyl-2-(3-methoxyphenyl)cyclopropan-1-amine;hydrochloride
CID 118730209
1-ethyl-2-(3-methoxyphenyl)cyclopropan-1-amine;hydrochloride
CID 90198014

Frequently Asked Questions

What is the IUPAC name of (2S,2'S)-2'-(3-methoxyphenyl)spiro[3H-indene-2,1'-cyclopropane]-1-one?
The IUPAC name of (2S,2'S)-2'-(3-methoxyphenyl)spiro[3H-indene-2,1'-cyclopropane]-1-one (CID 15473548) is (2S,2'S)-2'-(3-methoxyphenyl)spiro[3H-indene-2,1'-cyclopropane]-1-one.
What is the SMILES notation for (2S,2'S)-2'-(3-methoxyphenyl)spiro[3H-indene-2,1'-cyclopropane]-1-one?
The canonical SMILES for (2S,2'S)-2'-(3-methoxyphenyl)spiro[3H-indene-2,1'-cyclopropane]-1-one is COc1cccc([C@@H]2C[C@]23Cc2ccccc2C3=O)c1.
What is the InChIKey of (2S,2'S)-2'-(3-methoxyphenyl)spiro[3H-indene-2,1'-cyclopropane]-1-one?
The InChIKey is YFDBAYNVQNFRHI-FUHWJXTLSA-N. The full InChI is InChI=1S/C18H16O2/c1-20-14-7-4-6-12(9-14)16-11-18(16)10-13-5-2-3-8-15(13)17(18)19/h2-9,16H,10-11H2,1H3/t16-,18+/m0/s1.
What are the key properties of (2S,2'S)-2'-(3-methoxyphenyl)spiro[3H-indene-2,1'-cyclopropane]-1-one?
(2S,2'S)-2'-(3-methoxyphenyl)spiro[3H-indene-2,1'-cyclopropane]-1-one has a molecular weight of 264.32 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,2'S)-2'-(3-methoxyphenyl)spiro[3H-indene-2,1'-cyclopropane]-1-one is sourced from PubChem (CID 15473548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).