7-bicyclo[4.2.0]octa-1,3,5-trienyl(naphthalen-2-yl)methanone

C19H14O — CID 64982460

IUPAC7-bicyclo[4.2.0]octa-1,3,5-trienyl(naphthalen-2-yl)methanone
SMILESO=C(c1ccc2ccccc2c1)C1Cc2ccccc21
InChIInChI=1S/C19H14O/c20-19(18-12-15-7-3-4-8-17(15)18)16-10-9-13-5-1-2-6-14(13)11-16/h1-11,18H,12H2
InChIKeyLWTZSUQKKSZBMO-UHFFFAOYSA-N
MW258.32 g/mol
LogP4.36
Rot. Bonds2

About 7-bicyclo[4.2.0]octa-1,3,5-trienyl(naphthalen-2-yl)methanone

7-bicyclo[4.2.0]octa-1,3,5-trienyl(naphthalen-2-yl)methanone (PubChem CID 64982460) has the molecular formula C19H14O and a molecular weight of 258.32 g/mol. Its IUPAC name is 7-bicyclo[4.2.0]octa-1,3,5-trienyl(naphthalen-2-yl)methanone.

Molecular Properties

Compound Name7-bicyclo[4.2.0]octa-1,3,5-trienyl(naphthalen-2-yl)methanone
PubChem CID64982460
Molecular FormulaC19H14O
Molecular Weight258.32 g/mol
Exact Mass258.10
IUPAC Name7-bicyclo[4.2.0]octa-1,3,5-trienyl(naphthalen-2-yl)methanone
SMILESO=C(c1ccc2ccccc2c1)C1Cc2ccccc21
InChIInChI=1S/C19H14O/c20-19(18-12-15-7-3-4-8-17(15)18)16-10-9-13-5-1-2-6-14(13)11-16/h1-11,18H,12H2
InChIKeyLWTZSUQKKSZBMO-UHFFFAOYSA-N
XLogP4.36
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-aminophenyl)-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanone
CID 66395209
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-propan-2-ylphenyl)methanone
CID 64986357
(4-amino-3-methylphenyl)-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanone
CID 66395210
7-bicyclo[4.2.0]octa-1,3,5-trienyl(naphthalen-1-yl)methanone
CID 64982163
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-ethylphenyl)methanone
CID 64982409
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-methylnaphthalen-1-yl)methanone
CID 81429285
bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl iodide
CID 22956884
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,4-dichlorophenyl)methanone
CID 66396102
1-naphthalen-2-yl-2-[4-(2-naphthalen-2-yl-2-oxoacetyl)phenyl]ethane-1,2-dione
CID 10939145
dinaphthalen-2-ylmethanone
CID 10945915
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,3-dichlorophenyl)methanone
CID 64982050
[(2R,3S)-3-[4-[(2S,3R)-3-(naphthalene-2-carbonyl)oxiran-2-yl]phenyl]oxiran-2-yl]-naphthalen-2-ylmethanone
CID 10766739

Frequently Asked Questions

What is the IUPAC name of 7-bicyclo[4.2.0]octa-1,3,5-trienyl(naphthalen-2-yl)methanone?
The IUPAC name of 7-bicyclo[4.2.0]octa-1,3,5-trienyl(naphthalen-2-yl)methanone (CID 64982460) is 7-bicyclo[4.2.0]octa-1,3,5-trienyl(naphthalen-2-yl)methanone.
What is the SMILES notation for 7-bicyclo[4.2.0]octa-1,3,5-trienyl(naphthalen-2-yl)methanone?
The canonical SMILES for 7-bicyclo[4.2.0]octa-1,3,5-trienyl(naphthalen-2-yl)methanone is O=C(c1ccc2ccccc2c1)C1Cc2ccccc21.
What is the InChIKey of 7-bicyclo[4.2.0]octa-1,3,5-trienyl(naphthalen-2-yl)methanone?
The InChIKey is LWTZSUQKKSZBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O/c20-19(18-12-15-7-3-4-8-17(15)18)16-10-9-13-5-1-2-6-14(13)11-16/h1-11,18H,12H2.
What are the key properties of 7-bicyclo[4.2.0]octa-1,3,5-trienyl(naphthalen-2-yl)methanone?
7-bicyclo[4.2.0]octa-1,3,5-trienyl(naphthalen-2-yl)methanone has a molecular weight of 258.32 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bicyclo[4.2.0]octa-1,3,5-trienyl(naphthalen-2-yl)methanone is sourced from PubChem (CID 64982460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).