1-[2-(1H-inden-1-yl)naphthalen-1-yl]propan-1-one

C22H18O — CID 139946423

IUPAC1-[2-(1H-inden-1-yl)naphthalen-1-yl]propan-1-one
SMILESCCC(=O)c1c(C2C=Cc3ccccc32)ccc2ccccc12
InChIInChI=1S/C22H18O/c1-2-21(23)22-18-10-6-4-8-16(18)12-14-20(22)19-13-11-15-7-3-5-9-17(15)19/h3-14,19H,2H2,1H3
InChIKeyHARUROMTHJVISF-UHFFFAOYSA-N
MW298.38 g/mol
LogP5.59
Rot. Bonds3

About 1-[2-(1H-inden-1-yl)naphthalen-1-yl]propan-1-one

1-[2-(1H-inden-1-yl)naphthalen-1-yl]propan-1-one (PubChem CID 139946423) has the molecular formula C22H18O and a molecular weight of 298.38 g/mol. Its IUPAC name is 1-[2-(1H-inden-1-yl)naphthalen-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[2-(1H-inden-1-yl)naphthalen-1-yl]propan-1-one
PubChem CID139946423
Molecular FormulaC22H18O
Molecular Weight298.38 g/mol
Exact Mass298.14
IUPAC Name1-[2-(1H-inden-1-yl)naphthalen-1-yl]propan-1-one
SMILESCCC(=O)c1c(C2C=Cc3ccccc32)ccc2ccccc12
InChIInChI=1S/C22H18O/c1-2-21(23)22-18-10-6-4-8-16(18)12-14-20(22)19-13-11-15-7-3-5-9-17(15)19/h3-14,19H,2H2,1H3
InChIKeyHARUROMTHJVISF-UHFFFAOYSA-N
XLogP5.59
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.38
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-inden-1-yl)naphthalen-1-yl]propan-1-one?
The IUPAC name of 1-[2-(1H-inden-1-yl)naphthalen-1-yl]propan-1-one (CID 139946423) is 1-[2-(1H-inden-1-yl)naphthalen-1-yl]propan-1-one.
What is the SMILES notation for 1-[2-(1H-inden-1-yl)naphthalen-1-yl]propan-1-one?
The canonical SMILES for 1-[2-(1H-inden-1-yl)naphthalen-1-yl]propan-1-one is CCC(=O)c1c(C2C=Cc3ccccc32)ccc2ccccc12.
What is the InChIKey of 1-[2-(1H-inden-1-yl)naphthalen-1-yl]propan-1-one?
The InChIKey is HARUROMTHJVISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O/c1-2-21(23)22-18-10-6-4-8-16(18)12-14-20(22)19-13-11-15-7-3-5-9-17(15)19/h3-14,19H,2H2,1H3.
What are the key properties of 1-[2-(1H-inden-1-yl)naphthalen-1-yl]propan-1-one?
1-[2-(1H-inden-1-yl)naphthalen-1-yl]propan-1-one has a molecular weight of 298.38 g/mol, XLogP of 5.59, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-inden-1-yl)naphthalen-1-yl]propan-1-one is sourced from PubChem (CID 139946423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).