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

C18H24O — CID 114962656

IUPAC1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)C2CCC3CCCCC3C2)c1
InChIInChI=1S/C18H24O/c1-13-5-4-8-16(11-13)18(19)17-10-9-14-6-2-3-7-15(14)12-17/h4-5,8,11,14-15,17H,2-3,6-7,9-10,12H2,1H3
InChIKeyQFJIFHHUXOKESL-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.78
Rot. Bonds2

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

1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(3-methylphenyl)methanone (PubChem CID 114962656) has the molecular formula C18H24O and a molecular weight of 256.39 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(3-methylphenyl)methanone.

Molecular Properties

Compound Name1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(3-methylphenyl)methanone
PubChem CID114962656
Molecular FormulaC18H24O
Molecular Weight256.39 g/mol
Exact Mass256.18
IUPAC Name1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)C2CCC3CCCCC3C2)c1
InChIInChI=1S/C18H24O/c1-13-5-4-8-16(11-13)18(19)17-10-9-14-6-2-3-7-15(14)12-17/h4-5,8,11,14-15,17H,2-3,6-7,9-10,12H2,1H3
InChIKeyQFJIFHHUXOKESL-UHFFFAOYSA-N
XLogP4.78
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.78
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-ethylphenyl)methanone
CID 115788864
(3-methylphenyl)-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanone
CID 171950874
(3,5-dimethylcyclohexyl)-(3-methylphenyl)methanone
CID 64728480
(3-methylphenyl)-(oxan-2-yl)methanone
CID 114962654
(2-methylcyclopropyl)-(3-methylphenyl)methanone
CID 65420816
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(1-methylpyrazol-4-yl)methanone
CID 114963969
N-cyclooctyl-3-methylbenzamide
CID 966011
azepan-2-yl-(3-methylphenyl)methanone
CID 84683079
3-methyl-N-[(1R,2R)-2-[(3-methylbenzoyl)amino]cyclohexyl]benzamide
CID 1011123
(2R,3aS,7aR)-1-(3-methylbenzoyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide
CID 95756993
(3-methylbenzoyl) 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
CID 175555903
(3-tert-butylphenyl)-cyclopentylmethanone
CID 146005494

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(3-methylphenyl)methanone?
The IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(3-methylphenyl)methanone (CID 114962656) is 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(3-methylphenyl)methanone.
What is the SMILES notation for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(3-methylphenyl)methanone?
The canonical SMILES for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(3-methylphenyl)methanone is Cc1cccc(C(=O)C2CCC3CCCCC3C2)c1.
What is the InChIKey of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(3-methylphenyl)methanone?
The InChIKey is QFJIFHHUXOKESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O/c1-13-5-4-8-16(11-13)18(19)17-10-9-14-6-2-3-7-15(14)12-17/h4-5,8,11,14-15,17H,2-3,6-7,9-10,12H2,1H3.
What are the key properties of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(3-methylphenyl)methanone?
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(3-methylphenyl)methanone has a molecular weight of 256.39 g/mol, XLogP of 4.78, 2 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-methylphenyl)methanone is sourced from PubChem (CID 114962656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).