methyl 2-[(1S)-5-methoxy-3,6-dimethyl-2,3-dihydro-1H-inden-1-yl]acetate

C15H20O3 — CID 134861871

IUPACmethyl 2-[(1S)-5-methoxy-3,6-dimethyl-2,3-dihydro-1H-inden-1-yl]acetate
SMILESCOC(=O)C[C@@H]1CC(C)c2cc(OC)c(C)cc21
InChIInChI=1S/C15H20O3/c1-9-5-11(7-15(16)18-4)13-6-10(2)14(17-3)8-12(9)13/h6,8-9,11H,5,7H2,1-4H3/t9?,11-/m0/s1
InChIKeyKZFSRUKNCZVSMZ-UMJHXOGRSA-N
MW248.32 g/mol
LogP3.16
Rot. Bonds3

About methyl 2-[(1S)-5-methoxy-3,6-dimethyl-2,3-dihydro-1H-inden-1-yl]acetate

methyl 2-[(1S)-5-methoxy-3,6-dimethyl-2,3-dihydro-1H-inden-1-yl]acetate (PubChem CID 134861871) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is methyl 2-[(1S)-5-methoxy-3,6-dimethyl-2,3-dihydro-1H-inden-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(1S)-5-methoxy-3,6-dimethyl-2,3-dihydro-1H-inden-1-yl]acetate
PubChem CID134861871
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Namemethyl 2-[(1S)-5-methoxy-3,6-dimethyl-2,3-dihydro-1H-inden-1-yl]acetate
SMILESCOC(=O)C[C@@H]1CC(C)c2cc(OC)c(C)cc21
InChIInChI=1S/C15H20O3/c1-9-5-11(7-15(16)18-4)13-6-10(2)14(17-3)8-12(9)13/h6,8-9,11H,5,7H2,1-4H3/t9?,11-/m0/s1
InChIKeyKZFSRUKNCZVSMZ-UMJHXOGRSA-N
XLogP3.16
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2-[(1S)-5-methoxy-3,6-dimethyl-2,3-dihydro-1H-inden-1-yl]acetate with MolForge

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Related Compounds

(1R,3S)-6-methoxy-1,5-dimethyl-3-(2-methylprop-1-enyl)-2,3-dihydro-1H-indene
CID 25269693
(1R,3R)-6-methoxy-1,5-dimethyl-3-(2-methylprop-1-enyl)-2,3-dihydro-1H-indene
CID 102423808
[(1R,4R)-7-methoxy-6-methyl-4-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]methanol
CID 25242769
ethyl 2-(5,6-dimethoxy-2,3-dihydro-1-benzofuran-3-yl)acetate
CID 170367856
methyl 2-[(2R,4R,5R)-4-hydroxy-5-methyloxolan-2-yl]acetate
CID 10931919
methyl 2-[(2R,4S,5R)-4-hydroxy-5-methyloxolan-2-yl]acetate
CID 11105849
2-[(2,5-dimethoxy-4-methylphenyl)methyl]cyclopropane-1-carboxylic acid
CID 116927040
methyl 2-[(4-methoxy-2,5-dimethylphenyl)methylamino]acetate
CID 115232862
(1S)-1-[(2R,4R)-6-methoxy-4,7-dimethyl-3,4-dihydro-2H-chromen-2-yl]ethanol
CID 56957518
3-methoxy-5,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 163922079
1-bromo-5,6-dimethoxy-3-methyl-2,3-dihydro-1H-indene
CID 63821934
methyl 2-[2-(chloromethyl)-5-methoxy-4-methylphenyl]acetate
CID 171022993

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1S)-5-methoxy-3,6-dimethyl-2,3-dihydro-1H-inden-1-yl]acetate?
The IUPAC name of methyl 2-[(1S)-5-methoxy-3,6-dimethyl-2,3-dihydro-1H-inden-1-yl]acetate (CID 134861871) is methyl 2-[(1S)-5-methoxy-3,6-dimethyl-2,3-dihydro-1H-inden-1-yl]acetate.
What is the SMILES notation for methyl 2-[(1S)-5-methoxy-3,6-dimethyl-2,3-dihydro-1H-inden-1-yl]acetate?
The canonical SMILES for methyl 2-[(1S)-5-methoxy-3,6-dimethyl-2,3-dihydro-1H-inden-1-yl]acetate is COC(=O)C[C@@H]1CC(C)c2cc(OC)c(C)cc21.
What is the InChIKey of methyl 2-[(1S)-5-methoxy-3,6-dimethyl-2,3-dihydro-1H-inden-1-yl]acetate?
The InChIKey is KZFSRUKNCZVSMZ-UMJHXOGRSA-N. The full InChI is InChI=1S/C15H20O3/c1-9-5-11(7-15(16)18-4)13-6-10(2)14(17-3)8-12(9)13/h6,8-9,11H,5,7H2,1-4H3/t9?,11-/m0/s1.
What are the key properties of methyl 2-[(1S)-5-methoxy-3,6-dimethyl-2,3-dihydro-1H-inden-1-yl]acetate?
methyl 2-[(1S)-5-methoxy-3,6-dimethyl-2,3-dihydro-1H-inden-1-yl]acetate has a molecular weight of 248.32 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1S)-5-methoxy-3,6-dimethyl-2,3-dihydro-1H-inden-1-yl]acetate is sourced from PubChem (CID 134861871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).