1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(1-benzofuran-2-yl)methanone

C19H22O2 — CID 115807122

IUPAC1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(1-benzofuran-2-yl)methanone
SMILESO=C(c1cc2ccccc2o1)C1CCC2CCCCC2C1
InChIInChI=1S/C19H22O2/c20-19(18-12-15-7-3-4-8-17(15)21-18)16-10-9-13-5-1-2-6-14(13)11-16/h3-4,7-8,12-14,16H,1-2,5-6,9-11H2
InChIKeyFLADEMDYZCHNEP-UHFFFAOYSA-N
MW282.38 g/mol
LogP5.22
Rot. Bonds2

About 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(1-benzofuran-2-yl)methanone

1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(1-benzofuran-2-yl)methanone (PubChem CID 115807122) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(1-benzofuran-2-yl)methanone
PubChem CID115807122
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(1-benzofuran-2-yl)methanone
SMILESO=C(c1cc2ccccc2o1)C1CCC2CCCCC2C1
InChIInChI=1S/C19H22O2/c20-19(18-12-15-7-3-4-8-17(15)21-18)16-10-9-13-5-1-2-6-14(13)11-16/h3-4,7-8,12-14,16H,1-2,5-6,9-11H2
InChIKeyFLADEMDYZCHNEP-UHFFFAOYSA-N
XLogP5.22
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.38
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(1-benzofuran-2-yl)methanone with MolForge

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Related Compounds

1-benzofuran-2-yl(piperidin-4-yl)methanone
CID 82275112
1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl(1-benzofuran-2-yl)methanone
CID 114736885
1-benzofuran-2-yl-(4-ethylcyclohexyl)methanone
CID 64773771
1-benzofuran-2-yl-(2-methylcyclopentyl)methanone
CID 107187534
cis-(1R,3S)-3-(1-benzofuran-2-carbonylamino)cyclopentane-1-carboxylic acid
CID 97318321
N-[2-(1-benzofuran-2-carbonylamino)cyclohexyl]-1-benzofuran-2-carboxamide
CID 171722189
(E)-3-(1-benzofuran-2-yl)-3-cyclopentylprop-2-enoic acid
CID 82275123
N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-1-benzofuran-2-carboxamide
CID 43603784
N-(2-hydroxycyclohexyl)-1-benzofuran-2-carboxamide
CID 55064168
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7193776
3-bicyclo[3.1.0]hexanyl-(5-chloro-1-benzofuran-2-yl)methanone
CID 115808599
N-(2-aminocyclohexyl)-1-benzofuran-2-carboxamide
CID 61037356

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(1-benzofuran-2-yl)methanone?
The IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(1-benzofuran-2-yl)methanone (CID 115807122) is 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(1-benzofuran-2-yl)methanone.
What is the SMILES notation for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(1-benzofuran-2-yl)methanone?
The canonical SMILES for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(1-benzofuran-2-yl)methanone is O=C(c1cc2ccccc2o1)C1CCC2CCCCC2C1.
What is the InChIKey of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(1-benzofuran-2-yl)methanone?
The InChIKey is FLADEMDYZCHNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c20-19(18-12-15-7-3-4-8-17(15)21-18)16-10-9-13-5-1-2-6-14(13)11-16/h3-4,7-8,12-14,16H,1-2,5-6,9-11H2.
What are the key properties of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(1-benzofuran-2-yl)methanone?
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(1-benzofuran-2-yl)methanone has a molecular weight of 282.38 g/mol, XLogP of 5.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(1-benzofuran-2-yl)methanone is sourced from PubChem (CID 115807122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).