(3R)-3-naphthalen-1-yl-2,3-dihydroinden-1-one

C19H14O — CID 134952620

IUPAC(3R)-3-naphthalen-1-yl-2,3-dihydroinden-1-one
SMILESO=C1C[C@H](c2cccc3ccccc23)c2ccccc21
InChIInChI=1S/C19H14O/c20-19-12-18(16-9-3-4-10-17(16)19)15-11-5-7-13-6-1-2-8-14(13)15/h1-11,18H,12H2/t18-/m1/s1
InChIKeyMDZJBGXFROTGGS-GOSISDBHSA-N
MW258.32 g/mol
LogP4.56
Rot. Bonds1

About (3R)-3-naphthalen-1-yl-2,3-dihydroinden-1-one

(3R)-3-naphthalen-1-yl-2,3-dihydroinden-1-one (PubChem CID 134952620) has the molecular formula C19H14O and a molecular weight of 258.32 g/mol. Its IUPAC name is (3R)-3-naphthalen-1-yl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name(3R)-3-naphthalen-1-yl-2,3-dihydroinden-1-one
PubChem CID134952620
Molecular FormulaC19H14O
Molecular Weight258.32 g/mol
Exact Mass258.10
IUPAC Name(3R)-3-naphthalen-1-yl-2,3-dihydroinden-1-one
SMILESO=C1C[C@H](c2cccc3ccccc23)c2ccccc21
InChIInChI=1S/C19H14O/c20-19-12-18(16-9-3-4-10-17(16)19)15-11-5-7-13-6-1-2-8-14(13)15/h1-11,18H,12H2/t18-/m1/s1
InChIKeyMDZJBGXFROTGGS-GOSISDBHSA-N
XLogP4.56
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 12753196
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3-naphthalen-1-yloxetan-2-one
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3-(3-chloro-2-methylphenyl)-2,3-dihydroinden-1-one
CID 70835059
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5-(iodomethylidene)-3-naphthalen-1-yloxolan-2-one
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(3R)-4-bromo-3-(2-hydroxynaphthalen-1-yl)-2,3-dihydroinden-1-one
CID 132990926
4-(9-naphthalen-1-yl-9,10-dihydrophenanthren-3-yl)-N,N-diphenylaniline
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3-(bromomethyl)-2,3-dihydroinden-1-one
CID 10799200
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CID 7413488

Frequently Asked Questions

What is the IUPAC name of (3R)-3-naphthalen-1-yl-2,3-dihydroinden-1-one?
The IUPAC name of (3R)-3-naphthalen-1-yl-2,3-dihydroinden-1-one (CID 134952620) is (3R)-3-naphthalen-1-yl-2,3-dihydroinden-1-one.
What is the SMILES notation for (3R)-3-naphthalen-1-yl-2,3-dihydroinden-1-one?
The canonical SMILES for (3R)-3-naphthalen-1-yl-2,3-dihydroinden-1-one is O=C1C[C@H](c2cccc3ccccc23)c2ccccc21.
What is the InChIKey of (3R)-3-naphthalen-1-yl-2,3-dihydroinden-1-one?
The InChIKey is MDZJBGXFROTGGS-GOSISDBHSA-N. The full InChI is InChI=1S/C19H14O/c20-19-12-18(16-9-3-4-10-17(16)19)15-11-5-7-13-6-1-2-8-14(13)15/h1-11,18H,12H2/t18-/m1/s1.
What are the key properties of (3R)-3-naphthalen-1-yl-2,3-dihydroinden-1-one?
(3R)-3-naphthalen-1-yl-2,3-dihydroinden-1-one has a molecular weight of 258.32 g/mol, XLogP of 4.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-naphthalen-1-yl-2,3-dihydroinden-1-one is sourced from PubChem (CID 134952620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).