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

C19H14O — CID 64982163

IUPAC7-bicyclo[4.2.0]octa-1,3,5-trienyl(naphthalen-1-yl)methanone
SMILESO=C(c1cccc2ccccc12)C1Cc2ccccc21
InChIInChI=1S/C19H14O/c20-19(18-12-14-7-2-4-10-16(14)18)17-11-5-8-13-6-1-3-9-15(13)17/h1-11,18H,12H2
InChIKeyXNGJIOZJMUPLRX-UHFFFAOYSA-N
MW258.32 g/mol
LogP4.36
Rot. Bonds2

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

7-bicyclo[4.2.0]octa-1,3,5-trienyl(naphthalen-1-yl)methanone (PubChem CID 64982163) 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-1-yl)methanone.

Molecular Properties

Compound Name7-bicyclo[4.2.0]octa-1,3,5-trienyl(naphthalen-1-yl)methanone
PubChem CID64982163
Molecular FormulaC19H14O
Molecular Weight258.32 g/mol
Exact Mass258.10
IUPAC Name7-bicyclo[4.2.0]octa-1,3,5-trienyl(naphthalen-1-yl)methanone
SMILESO=C(c1cccc2ccccc12)C1Cc2ccccc21
InChIInChI=1S/C19H14O/c20-19(18-12-14-7-2-4-10-16(14)18)17-11-5-8-13-6-1-3-9-15(13)17/h1-11,18H,12H2
InChIKeyXNGJIOZJMUPLRX-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

7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-methylnaphthalen-1-yl)methanone
CID 81429285
7-bicyclo[4.2.0]octa-1,3,5-trienyl(naphthalen-2-yl)methanone
CID 64982460
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(1-methylindol-3-yl)methanone
CID 66394358
bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl iodide
CID 22956884
3H-indazol-3-yl(naphthalen-1-yl)methanone
CID 170857545
(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-ethylphenyl)methanone
CID 64982409
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,5-dibromo-4-methylphenyl)methanone
CID 81468479
N-(2-chloroethyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66396131
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-propan-2-ylphenyl)methanone
CID 64986357
(2R)-2-(naphthalene-1-carbonyl)-2,3-dihydropyran-4-one
CID 177480692
methyl (7S)-bicyclo[4.2.0]octa-1,3,5-triene-7-carboxylate
CID 124511173

Frequently Asked Questions

What is the IUPAC name of 7-bicyclo[4.2.0]octa-1,3,5-trienyl(naphthalen-1-yl)methanone?
The IUPAC name of 7-bicyclo[4.2.0]octa-1,3,5-trienyl(naphthalen-1-yl)methanone (CID 64982163) is 7-bicyclo[4.2.0]octa-1,3,5-trienyl(naphthalen-1-yl)methanone.
What is the SMILES notation for 7-bicyclo[4.2.0]octa-1,3,5-trienyl(naphthalen-1-yl)methanone?
The canonical SMILES for 7-bicyclo[4.2.0]octa-1,3,5-trienyl(naphthalen-1-yl)methanone is O=C(c1cccc2ccccc12)C1Cc2ccccc21.
What is the InChIKey of 7-bicyclo[4.2.0]octa-1,3,5-trienyl(naphthalen-1-yl)methanone?
The InChIKey is XNGJIOZJMUPLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O/c20-19(18-12-14-7-2-4-10-16(14)18)17-11-5-8-13-6-1-3-9-15(13)17/h1-11,18H,12H2.
What are the key properties of 7-bicyclo[4.2.0]octa-1,3,5-trienyl(naphthalen-1-yl)methanone?
7-bicyclo[4.2.0]octa-1,3,5-trienyl(naphthalen-1-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-1-yl)methanone is sourced from PubChem (CID 64982163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).