bis(3,4-dihydronaphthalen-1-yl)methanone

C21H18O — CID 174839163

IUPACbis(3,4-dihydronaphthalen-1-yl)methanone
SMILESO=C(C1=CCCc2ccccc21)C1=CCCc2ccccc21
InChIInChI=1S/C21H18O/c22-21(19-13-5-9-15-7-1-3-11-17(15)19)20-14-6-10-16-8-2-4-12-18(16)20/h1-4,7-8,11-14H,5-6,9-10H2
InChIKeyPPUFQICKASTYAB-UHFFFAOYSA-N
MW286.37 g/mol
LogP4.62
Rot. Bonds2

About bis(3,4-dihydronaphthalen-1-yl)methanone

bis(3,4-dihydronaphthalen-1-yl)methanone (PubChem CID 174839163) has the molecular formula C21H18O and a molecular weight of 286.37 g/mol. Its IUPAC name is bis(3,4-dihydronaphthalen-1-yl)methanone.

Molecular Properties

Compound Namebis(3,4-dihydronaphthalen-1-yl)methanone
PubChem CID174839163
Molecular FormulaC21H18O
Molecular Weight286.37 g/mol
Exact Mass286.14
IUPAC Namebis(3,4-dihydronaphthalen-1-yl)methanone
SMILESO=C(C1=CCCc2ccccc21)C1=CCCc2ccccc21
InChIInChI=1S/C21H18O/c22-21(19-13-5-9-15-7-1-3-11-17(15)19)20-14-6-10-16-8-2-4-12-18(16)20/h1-4,7-8,11-14H,5-6,9-10H2
InChIKeyPPUFQICKASTYAB-UHFFFAOYSA-N
XLogP4.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3,4-dihydronaphthalen-1-yl)acetamide
CID 10176439
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3,4-dihydronaphthalen-1-ylurea
CID 142857386
ethane;4-methyl-1,2-dihydronaphthalene
CID 91604572
[1-(3,4-dihydronaphthalen-1-yl)ethylideneamino]thiourea
CID 74411426
(2S)-1-(3,4-dihydronaphthalen-1-yl)propan-2-ol
CID 102513360
3,4-dihydronaphthalene-1-sulfonyl chloride
CID 54105806
4-(fluoromethyl)-1,2-dihydronaphthalene
CID 70203270
7-methyl-3,4-dihydronaphthalene-1-carboxylic acid
CID 82075337
acetic acid;8,9-dihydro-7H-benzo[7]annulen-5-ol
CID 66934333
bis(3,4-dihydroisoquinolin-1-yl)methanone
CID 174753154
4-[[1-carboxy-2-(3,4-dihydronaphthalen-1-yl)ethyl]amino]-4-oxobutanoic acid
CID 123432143

Frequently Asked Questions

What is the IUPAC name of bis(3,4-dihydronaphthalen-1-yl)methanone?
The IUPAC name of bis(3,4-dihydronaphthalen-1-yl)methanone (CID 174839163) is bis(3,4-dihydronaphthalen-1-yl)methanone.
What is the SMILES notation for bis(3,4-dihydronaphthalen-1-yl)methanone?
The canonical SMILES for bis(3,4-dihydronaphthalen-1-yl)methanone is O=C(C1=CCCc2ccccc21)C1=CCCc2ccccc21.
What is the InChIKey of bis(3,4-dihydronaphthalen-1-yl)methanone?
The InChIKey is PPUFQICKASTYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O/c22-21(19-13-5-9-15-7-1-3-11-17(15)19)20-14-6-10-16-8-2-4-12-18(16)20/h1-4,7-8,11-14H,5-6,9-10H2.
What are the key properties of bis(3,4-dihydronaphthalen-1-yl)methanone?
bis(3,4-dihydronaphthalen-1-yl)methanone has a molecular weight of 286.37 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,4-dihydronaphthalen-1-yl)methanone is sourced from PubChem (CID 174839163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).