5-(3-phenylpropoxy)-2,3-dihydroinden-1-one

C18H18O2 — CID 104986122

IUPAC5-(3-phenylpropoxy)-2,3-dihydroinden-1-one
SMILESO=C1CCc2cc(OCCCc3ccccc3)ccc21
InChIInChI=1S/C18H18O2/c19-18-11-8-15-13-16(9-10-17(15)18)20-12-4-7-14-5-2-1-3-6-14/h1-3,5-6,9-10,13H,4,7-8,11-12H2
InChIKeyGYTVRVMVUHTJJM-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.83
Rot. Bonds5

About 5-(3-phenylpropoxy)-2,3-dihydroinden-1-one

5-(3-phenylpropoxy)-2,3-dihydroinden-1-one (PubChem CID 104986122) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 5-(3-phenylpropoxy)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name5-(3-phenylpropoxy)-2,3-dihydroinden-1-one
PubChem CID104986122
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name5-(3-phenylpropoxy)-2,3-dihydroinden-1-one
SMILESO=C1CCc2cc(OCCCc3ccccc3)ccc21
InChIInChI=1S/C18H18O2/c19-18-11-8-15-13-16(9-10-17(15)18)20-12-4-7-14-5-2-1-3-6-14/h1-3,5-6,9-10,13H,4,7-8,11-12H2
InChIKeyGYTVRVMVUHTJJM-UHFFFAOYSA-N
XLogP3.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-pentoxy-2,3-dihydroinden-1-one
CID 104986088
5-pent-4-enoxy-2,3-dihydroinden-1-one
CID 104986130
5-(2-thiophen-3-ylethoxy)-2,3-dihydroinden-1-one
CID 102670879
2-(cyclohexylmethyl)-7-(3-phenylpropoxy)-4,5-dihydro-3H-2-benzazepin-1-one
CID 58708064
2-[2-[(1-oxo-2,3-dihydroinden-5-yl)oxy]ethoxy]ethyl acetate
CID 171068203
6-hydroxy-3,4-dihydro-2H-naphthalen-1-one;6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one
CID 139435678
2-(3-phenylpropoxy)naphthalene
CID 13432986
5-[(3,5-dimethylphenyl)methoxy]-2,3-dihydroinden-1-one
CID 107684168
5-(2-phenylethylamino)-2,3-dihydroinden-1-one
CID 68857612
5-(ethoxymethoxy)-2,3-dihydroinden-1-one
CID 104986117
2-pentoxy-9,10-dihydrophenanthrene
CID 143490734
6-hexadecoxy-3,4-dihydro-2H-naphthalen-1-one
CID 71387522

Frequently Asked Questions

What is the IUPAC name of 5-(3-phenylpropoxy)-2,3-dihydroinden-1-one?
The IUPAC name of 5-(3-phenylpropoxy)-2,3-dihydroinden-1-one (CID 104986122) is 5-(3-phenylpropoxy)-2,3-dihydroinden-1-one.
What is the SMILES notation for 5-(3-phenylpropoxy)-2,3-dihydroinden-1-one?
The canonical SMILES for 5-(3-phenylpropoxy)-2,3-dihydroinden-1-one is O=C1CCc2cc(OCCCc3ccccc3)ccc21.
What is the InChIKey of 5-(3-phenylpropoxy)-2,3-dihydroinden-1-one?
The InChIKey is GYTVRVMVUHTJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c19-18-11-8-15-13-16(9-10-17(15)18)20-12-4-7-14-5-2-1-3-6-14/h1-3,5-6,9-10,13H,4,7-8,11-12H2.
What are the key properties of 5-(3-phenylpropoxy)-2,3-dihydroinden-1-one?
5-(3-phenylpropoxy)-2,3-dihydroinden-1-one has a molecular weight of 266.34 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-phenylpropoxy)-2,3-dihydroinden-1-one is sourced from PubChem (CID 104986122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).