methyl 2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)butanoate

C15H20O3 — CID 23529443

IUPACmethyl 2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)butanoate
SMILESCCC(C(=O)OC)C1CCc2cc(OC)ccc21
InChIInChI=1S/C15H20O3/c1-4-12(15(16)18-3)14-7-5-10-9-11(17-2)6-8-13(10)14/h6,8-9,12,14H,4-5,7H2,1-3H3
InChIKeyLRKHKEBXULVFCW-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.92
Rot. Bonds4

About methyl 2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)butanoate

methyl 2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)butanoate (PubChem CID 23529443) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is methyl 2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)butanoate.

Molecular Properties

Compound Namemethyl 2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)butanoate
PubChem CID23529443
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Namemethyl 2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)butanoate
SMILESCCC(C(=O)OC)C1CCc2cc(OC)ccc21
InChIInChI=1S/C15H20O3/c1-4-12(15(16)18-3)14-7-5-10-9-11(17-2)6-8-13(10)14/h6,8-9,12,14H,4-5,7H2,1-3H3
InChIKeyLRKHKEBXULVFCW-UHFFFAOYSA-N
XLogP2.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-acetamido-2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)acetate
CID 10062053
(2S)-2-[(1S)-5-methoxy-2,3-dihydro-1H-inden-1-yl]propanoic acid;(2R)-2-[(1R)-5-methoxy-2,3-dihydro-1H-inden-1-yl]propanoic acid
CID 160877367
methyl 2-hydroxy-2-(6-methoxy-2,3-dihydro-1H-inden-1-yl)acetate
CID 79367554
N-butan-2-yl-6-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 110633711
ethyl 2,2-difluoro-2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)acetate
CID 142856006
methyl 2-[5-[2-(2-cyclohex-2-en-1-yl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1H-inden-1-yl]butanoate
CID 134583329
1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)propan-1-ol
CID 79368775
2-[(1S)-5-[3-[(5-bromopyrimidin-2-yl)amino]propoxy]-2,3-dihydro-1H-inden-1-yl]butanoic acid
CID 67018678
N-[2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)ethyl]acetamide
CID 22922683
N-[2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)ethyl]butanamide
CID 22922665
methyl 2-(5-hydroxy-2,3-dihydro-1H-inden-1-yl)propanoate
CID 23529442
N-butan-2-yl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43190307

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)butanoate?
The IUPAC name of methyl 2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)butanoate (CID 23529443) is methyl 2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)butanoate.
What is the SMILES notation for methyl 2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)butanoate?
The canonical SMILES for methyl 2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)butanoate is CCC(C(=O)OC)C1CCc2cc(OC)ccc21.
What is the InChIKey of methyl 2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)butanoate?
The InChIKey is LRKHKEBXULVFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-4-12(15(16)18-3)14-7-5-10-9-11(17-2)6-8-13(10)14/h6,8-9,12,14H,4-5,7H2,1-3H3.
What are the key properties of methyl 2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)butanoate?
methyl 2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)butanoate has a molecular weight of 248.32 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)butanoate is sourced from PubChem (CID 23529443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).