1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(2,3-dichlorophenyl)ethanone

C18H22Cl2O — CID 107311653

IUPAC1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(2,3-dichlorophenyl)ethanone
SMILESO=C(Cc1cccc(Cl)c1Cl)C1CCC2CCCCC2C1
InChIInChI=1S/C18H22Cl2O/c19-16-7-3-6-15(18(16)20)11-17(21)14-9-8-12-4-1-2-5-13(12)10-14/h3,6-7,12-14H,1-2,4-5,8-11H2
InChIKeyGLVYQIVWLXHZLM-UHFFFAOYSA-N
MW325.28 g/mol
LogP5.71
Rot. Bonds3

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

1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(2,3-dichlorophenyl)ethanone (PubChem CID 107311653) has the molecular formula C18H22Cl2O and a molecular weight of 325.28 g/mol. Its IUPAC name is 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(2,3-dichlorophenyl)ethanone.

Molecular Properties

Compound Name1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(2,3-dichlorophenyl)ethanone
PubChem CID107311653
Molecular FormulaC18H22Cl2O
Molecular Weight325.28 g/mol
Exact Mass324.10
IUPAC Name1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(2,3-dichlorophenyl)ethanone
SMILESO=C(Cc1cccc(Cl)c1Cl)C1CCC2CCCCC2C1
InChIInChI=1S/C18H22Cl2O/c19-16-7-3-6-15(18(16)20)11-17(21)14-9-8-12-4-1-2-5-13(12)10-14/h3,6-7,12-14H,1-2,4-5,8-11H2
InChIKeyGLVYQIVWLXHZLM-UHFFFAOYSA-N
XLogP5.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.28
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclobutyl-2-(2,3-dichlorophenyl)ethanone
CID 107307888
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(2,6-dimethylphenyl)ethanone
CID 115792612
1-(4-tert-butylcyclohexyl)-2-(2,3-dichlorophenyl)ethanone
CID 107307912
2-(2-chloro-3-fluorophenyl)-1-cyclooctylethanone
CID 112653394
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-phenylpropan-1-one
CID 114962878
2-(2,3-dichlorophenyl)-1-(oxolan-3-yl)ethanone
CID 107307902
2-(2-chlorophenyl)-1-cycloheptylethanone
CID 55091340
2-(2,3-dichlorophenyl)-1-pyrrolidin-2-ylethanone
CID 107311274
2-(3-chloro-2-fluorophenyl)-1-cyclohexylethanone
CID 82802271
2-(2-chlorophenyl)-1-cyclobutylethanone
CID 61054249
1-[2-(aminomethyl)cyclopentyl]-2-(2,3-dichlorophenyl)ethanone
CID 107311389
methyl 4-[(2,3-dichlorophenyl)methoxy]cyclohexane-1-carboxylate
CID 107305584

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(2,3-dichlorophenyl)ethanone?
The IUPAC name of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(2,3-dichlorophenyl)ethanone (CID 107311653) is 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(2,3-dichlorophenyl)ethanone.
What is the SMILES notation for 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(2,3-dichlorophenyl)ethanone?
The canonical SMILES for 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(2,3-dichlorophenyl)ethanone is O=C(Cc1cccc(Cl)c1Cl)C1CCC2CCCCC2C1.
What is the InChIKey of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(2,3-dichlorophenyl)ethanone?
The InChIKey is GLVYQIVWLXHZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22Cl2O/c19-16-7-3-6-15(18(16)20)11-17(21)14-9-8-12-4-1-2-5-13(12)10-14/h3,6-7,12-14H,1-2,4-5,8-11H2.
What are the key properties of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(2,3-dichlorophenyl)ethanone?
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(2,3-dichlorophenyl)ethanone has a molecular weight of 325.28 g/mol, XLogP of 5.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(2,3-dichlorophenyl)ethanone is sourced from PubChem (CID 107311653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).