4-(2-methylbutoxy)-2,3-dihydroinden-1-one

C14H18O2 — CID 63091746

IUPAC4-(2-methylbutoxy)-2,3-dihydroinden-1-one
SMILESCCC(C)COc1cccc2c1CCC2=O
InChIInChI=1S/C14H18O2/c1-3-10(2)9-16-14-6-4-5-11-12(14)7-8-13(11)15/h4-6,10H,3,7-9H2,1-2H3
InChIKeyRABGWAMXOLRKIY-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.24
Rot. Bonds4

About 4-(2-methylbutoxy)-2,3-dihydroinden-1-one

4-(2-methylbutoxy)-2,3-dihydroinden-1-one (PubChem CID 63091746) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 4-(2-methylbutoxy)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name4-(2-methylbutoxy)-2,3-dihydroinden-1-one
PubChem CID63091746
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name4-(2-methylbutoxy)-2,3-dihydroinden-1-one
SMILESCCC(C)COc1cccc2c1CCC2=O
InChIInChI=1S/C14H18O2/c1-3-10(2)9-16-14-6-4-5-11-12(14)7-8-13(11)15/h4-6,10H,3,7-9H2,1-2H3
InChIKeyRABGWAMXOLRKIY-UHFFFAOYSA-N
XLogP3.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(2-methylbutoxy)-2,3-dihydroinden-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

4-(2-hydroxy-2-phenylethoxy)-2,3-dihydroinden-1-one
CID 63091023
4-(2-methoxyethoxy)-2,3-dihydroinden-1-one
CID 60705268
4-[(4-ethylphenyl)methoxy]-2,3-dihydroinden-1-one
CID 63090320
2-ethyl-4-[(1-oxo-2,3-dihydroinden-4-yl)oxy]butanoic acid
CID 70244273
5-(2,2-difluoroethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 65455954
4-(4,4-dimethylpentoxy)-2,3-dihydroinden-1-one
CID 114209493
4-(2-chloroprop-2-enoxy)-2,3-dihydroinden-1-one
CID 60705449
4-[(3-methylphenyl)methoxy]-2,3-dihydroinden-1-one
CID 55025444
1-[(2S)-2-methylbutoxy]-2-phenylbenzene
CID 57221058
N-[2,6-di(propan-2-yl)phenyl]-2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetamide
CID 41402308
butyl 2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetate
CID 60730584
4-[(2-fluoro-3-methoxyphenyl)methoxy]-2,3-dihydroinden-1-one
CID 104792196

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbutoxy)-2,3-dihydroinden-1-one?
The IUPAC name of 4-(2-methylbutoxy)-2,3-dihydroinden-1-one (CID 63091746) is 4-(2-methylbutoxy)-2,3-dihydroinden-1-one.
What is the SMILES notation for 4-(2-methylbutoxy)-2,3-dihydroinden-1-one?
The canonical SMILES for 4-(2-methylbutoxy)-2,3-dihydroinden-1-one is CCC(C)COc1cccc2c1CCC2=O.
What is the InChIKey of 4-(2-methylbutoxy)-2,3-dihydroinden-1-one?
The InChIKey is RABGWAMXOLRKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-3-10(2)9-16-14-6-4-5-11-12(14)7-8-13(11)15/h4-6,10H,3,7-9H2,1-2H3.
What are the key properties of 4-(2-methylbutoxy)-2,3-dihydroinden-1-one?
4-(2-methylbutoxy)-2,3-dihydroinden-1-one has a molecular weight of 218.30 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbutoxy)-2,3-dihydroinden-1-one is sourced from PubChem (CID 63091746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).