butyl 2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetate

C15H18O4 — CID 60730584

IUPACbutyl 2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetate
SMILESCCCCOC(=O)COc1cccc2c1CCC2=O
InChIInChI=1S/C15H18O4/c1-2-3-9-18-15(17)10-19-14-6-4-5-11-12(14)7-8-13(11)16/h4-6H,2-3,7-10H2,1H3
InChIKeyPWQRFDCBSPDWEY-UHFFFAOYSA-N
MW262.30 g/mol
LogP2.54
Rot. Bonds6

About butyl 2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetate

butyl 2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetate (PubChem CID 60730584) has the molecular formula C15H18O4 and a molecular weight of 262.30 g/mol. Its IUPAC name is butyl 2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetate.

Molecular Properties

Compound Namebutyl 2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetate
PubChem CID60730584
Molecular FormulaC15H18O4
Molecular Weight262.30 g/mol
Exact Mass262.12
IUPAC Namebutyl 2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetate
SMILESCCCCOC(=O)COc1cccc2c1CCC2=O
InChIInChI=1S/C15H18O4/c1-2-3-9-18-15(17)10-19-14-6-4-5-11-12(14)7-8-13(11)16/h4-6H,2-3,7-10H2,1H3
InChIKeyPWQRFDCBSPDWEY-UHFFFAOYSA-N
XLogP2.54
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

butyl 2-[2-ethoxy-3-methoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]acetate
CID 71279644
butyl 2-(2-ethoxyphenoxy)acetate
CID 54941442
4-(2-methoxyethoxy)-2,3-dihydroinden-1-one
CID 60705268
butyl 2-(2-methoxyphenoxy)acetate
CID 54941635
4-(2-chloroprop-2-enoxy)-2,3-dihydroinden-1-one
CID 60705449
4-(4,4-dimethylpentoxy)-2,3-dihydroinden-1-one
CID 114209493
2-ethyl-4-[(1-oxo-2,3-dihydroinden-4-yl)oxy]butanoic acid
CID 70244273
butyl 2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetate
CID 78931640
4-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethoxy]-2,3-dihydroinden-1-one
CID 24578849
N-cyclohexyl-2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetamide
CID 41402250
(4-butylphenyl) (1-oxo-2,3-dihydroinden-4-yl) hydrogen phosphate
CID 70543978
4-(2-methylbutoxy)-2,3-dihydroinden-1-one
CID 63091746

Frequently Asked Questions

What is the IUPAC name of butyl 2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetate?
The IUPAC name of butyl 2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetate (CID 60730584) is butyl 2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetate.
What is the SMILES notation for butyl 2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetate?
The canonical SMILES for butyl 2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetate is CCCCOC(=O)COc1cccc2c1CCC2=O.
What is the InChIKey of butyl 2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetate?
The InChIKey is PWQRFDCBSPDWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O4/c1-2-3-9-18-15(17)10-19-14-6-4-5-11-12(14)7-8-13(11)16/h4-6H,2-3,7-10H2,1H3.
What are the key properties of butyl 2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetate?
butyl 2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetate has a molecular weight of 262.30 g/mol, XLogP of 2.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetate is sourced from PubChem (CID 60730584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).