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

C19H26O — CID 115788864

IUPAC1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(3-ethylphenyl)methanone
SMILESCCc1cccc(C(=O)C2CCC3CCCCC3C2)c1
InChIInChI=1S/C19H26O/c1-2-14-6-5-9-17(12-14)19(20)18-11-10-15-7-3-4-8-16(15)13-18/h5-6,9,12,15-16,18H,2-4,7-8,10-11,13H2,1H3
InChIKeyDQRFKYQIKHRXEV-UHFFFAOYSA-N
MW270.42 g/mol
LogP5.04
Rot. Bonds3

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

1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(3-ethylphenyl)methanone (PubChem CID 115788864) has the molecular formula C19H26O and a molecular weight of 270.42 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(3-ethylphenyl)methanone.

Molecular Properties

Compound Name1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(3-ethylphenyl)methanone
PubChem CID115788864
Molecular FormulaC19H26O
Molecular Weight270.42 g/mol
Exact Mass270.20
IUPAC Name1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(3-ethylphenyl)methanone
SMILESCCc1cccc(C(=O)C2CCC3CCCCC3C2)c1
InChIInChI=1S/C19H26O/c1-2-14-6-5-9-17(12-14)19(20)18-11-10-15-7-3-4-8-16(15)13-18/h5-6,9,12,15-16,18H,2-4,7-8,10-11,13H2,1H3
InChIKeyDQRFKYQIKHRXEV-UHFFFAOYSA-N
XLogP5.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.42
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(3-methylphenyl)methanone
CID 114962656
(3-aminocyclopentyl)-(3-ethylphenyl)methanone
CID 116587204
(3-aminocyclohexyl)-(3-ethylphenyl)methanone
CID 116568892
[3-(chloroamino)cyclohexyl]-(3-ethylphenyl)methanone
CID 130342338
(3-ethylphenyl)-(8-thiabicyclo[3.2.1]octan-3-yl)methanone
CID 171944460
(3-ethylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanone
CID 105120186
(3-ethylphenyl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171944473
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-phenylpropan-1-one
CID 114962878
N-cyclohexyl-3-ethyl-N-methylbenzamide
CID 70929086
(3-ethylphenyl)-(5-methyloxolan-2-yl)methanone
CID 115788879
(3-ethylcyclohexyl)-[3-(2-methylpropyl)phenyl]methanone
CID 116543287
3-(3-ethylphenyl)-3-oxopropanoic acid
CID 55267512

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(3-ethylphenyl)methanone?
The IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(3-ethylphenyl)methanone (CID 115788864) is 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(3-ethylphenyl)methanone.
What is the SMILES notation for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(3-ethylphenyl)methanone?
The canonical SMILES for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(3-ethylphenyl)methanone is CCc1cccc(C(=O)C2CCC3CCCCC3C2)c1.
What is the InChIKey of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(3-ethylphenyl)methanone?
The InChIKey is DQRFKYQIKHRXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O/c1-2-14-6-5-9-17(12-14)19(20)18-11-10-15-7-3-4-8-16(15)13-18/h5-6,9,12,15-16,18H,2-4,7-8,10-11,13H2,1H3.
What are the key properties of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(3-ethylphenyl)methanone?
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(3-ethylphenyl)methanone has a molecular weight of 270.42 g/mol, XLogP of 5.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 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-(3-ethylphenyl)methanone is sourced from PubChem (CID 115788864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).