methyl 2-(6-methoxy-2-methyl-3H-inden-1-yl)propanoate

C15H18O3 — CID 54220007

IUPACmethyl 2-(6-methoxy-2-methyl-3H-inden-1-yl)propanoate
SMILESCOC(=O)C(C)C1=C(C)Cc2ccc(OC)cc21
InChIInChI=1S/C15H18O3/c1-9-7-11-5-6-12(17-3)8-13(11)14(9)10(2)15(16)18-4/h5-6,8,10H,7H2,1-4H3
InChIKeyQBXKMTBXPKLVOM-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.83
Rot. Bonds3

About methyl 2-(6-methoxy-2-methyl-3H-inden-1-yl)propanoate

methyl 2-(6-methoxy-2-methyl-3H-inden-1-yl)propanoate (PubChem CID 54220007) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is methyl 2-(6-methoxy-2-methyl-3H-inden-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(6-methoxy-2-methyl-3H-inden-1-yl)propanoate
PubChem CID54220007
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Namemethyl 2-(6-methoxy-2-methyl-3H-inden-1-yl)propanoate
SMILESCOC(=O)C(C)C1=C(C)Cc2ccc(OC)cc21
InChIInChI=1S/C15H18O3/c1-9-7-11-5-6-12(17-3)8-13(11)14(9)10(2)15(16)18-4/h5-6,8,10H,7H2,1-4H3
InChIKeyQBXKMTBXPKLVOM-UHFFFAOYSA-N
XLogP2.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2-(6-methoxy-2-methyl-3H-inden-1-yl)propanoate 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

methyl 2-(2-hydroxy-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl)-3-methylbutanoate
CID 115511103
ethyl 2-hydroxy-6-methoxy-3H-indene-1-carboxylate
CID 66741711
3-methoxy-5-methyl-9H-fluorene
CID 14977721
1-amino-7-methoxy-4H-isoquinolin-3-one
CID 58443117
(2S)-N-carbamoyl-2-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]but-3-ynamide
CID 118927873
3,6-dimethoxy-10H-anthracen-9-one
CID 142018270
methyl (2R)-2-(7-methoxy-1,3,4,5-tetrahydro-2-benzazepin-2-yl)propanoate
CID 95294682
methyl 2-hydroxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate
CID 54467524
methyl 2-hydroxy-2-(6-methoxy-2,3-dihydro-1H-inden-1-yl)acetate
CID 79367554
methyl 2-[2-(1-aminoethyl)-5-methoxyphenoxy]propanoate
CID 82000173
methyl 5-methoxy-3-oxo-1,2-dihydroindene-2-carboxylate
CID 16639026
2-(1-hydroxyethyl)-6-methoxy-2,3-dihydroinden-1-one
CID 90078933

Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-methoxy-2-methyl-3H-inden-1-yl)propanoate?
The IUPAC name of methyl 2-(6-methoxy-2-methyl-3H-inden-1-yl)propanoate (CID 54220007) is methyl 2-(6-methoxy-2-methyl-3H-inden-1-yl)propanoate.
What is the SMILES notation for methyl 2-(6-methoxy-2-methyl-3H-inden-1-yl)propanoate?
The canonical SMILES for methyl 2-(6-methoxy-2-methyl-3H-inden-1-yl)propanoate is COC(=O)C(C)C1=C(C)Cc2ccc(OC)cc21.
What is the InChIKey of methyl 2-(6-methoxy-2-methyl-3H-inden-1-yl)propanoate?
The InChIKey is QBXKMTBXPKLVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3/c1-9-7-11-5-6-12(17-3)8-13(11)14(9)10(2)15(16)18-4/h5-6,8,10H,7H2,1-4H3.
What are the key properties of methyl 2-(6-methoxy-2-methyl-3H-inden-1-yl)propanoate?
methyl 2-(6-methoxy-2-methyl-3H-inden-1-yl)propanoate has a molecular weight of 246.31 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-methoxy-2-methyl-3H-inden-1-yl)propanoate is sourced from PubChem (CID 54220007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).