2-[(2,5-dichlorophenyl)methyl]-4-propan-2-ylcyclohexan-1-one

C16H20Cl2O — CID 65316836

IUPAC2-[(2,5-dichlorophenyl)methyl]-4-propan-2-ylcyclohexan-1-one
SMILESCC(C)C1CCC(=O)C(Cc2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C16H20Cl2O/c1-10(2)11-3-6-16(19)13(7-11)8-12-9-14(17)4-5-15(12)18/h4-5,9-11,13H,3,6-8H2,1-2H3
InChIKeyGDUDJCKCPQOVLY-UHFFFAOYSA-N
MW299.24 g/mol
LogP5.18
Rot. Bonds3

About 2-[(2,5-dichlorophenyl)methyl]-4-propan-2-ylcyclohexan-1-one

2-[(2,5-dichlorophenyl)methyl]-4-propan-2-ylcyclohexan-1-one (PubChem CID 65316836) has the molecular formula C16H20Cl2O and a molecular weight of 299.24 g/mol. Its IUPAC name is 2-[(2,5-dichlorophenyl)methyl]-4-propan-2-ylcyclohexan-1-one.

Molecular Properties

Compound Name2-[(2,5-dichlorophenyl)methyl]-4-propan-2-ylcyclohexan-1-one
PubChem CID65316836
Molecular FormulaC16H20Cl2O
Molecular Weight299.24 g/mol
Exact Mass298.09
IUPAC Name2-[(2,5-dichlorophenyl)methyl]-4-propan-2-ylcyclohexan-1-one
SMILESCC(C)C1CCC(=O)C(Cc2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C16H20Cl2O/c1-10(2)11-3-6-16(19)13(7-11)8-12-9-14(17)4-5-15(12)18/h4-5,9-11,13H,3,6-8H2,1-2H3
InChIKeyGDUDJCKCPQOVLY-UHFFFAOYSA-N
XLogP5.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.24
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(5-chloro-2-nitrophenyl)methyl]-4-propan-2-ylcyclohexan-1-one
CID 79556325
2-[(2,5-dichlorophenyl)methyl]-4-methylcyclohexan-1-one
CID 65316741
2-[(5-bromo-2-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-one
CID 63399847
2-[(2,4-dichlorophenyl)methyl]-4-ethylcyclohexan-1-one
CID 63399256
4-[(2,5-dichlorophenyl)methyl]cyclohexan-1-one
CID 83261963
2-[(5-methyl-3-pyridinyl)methyl]-4-propan-2-ylcyclohexan-1-one
CID 102877341
4-propan-2-yl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexan-1-one
CID 64773293
2-[(E)-3-chloroprop-2-enyl]-4-propan-2-ylcyclohexan-1-one
CID 107900844
2-[(6-methoxy-2-pyridinyl)methyl]-4-propan-2-ylcyclohexan-1-one
CID 79417074
2-[(1-methyltriazol-4-yl)methyl]-4-propan-2-ylcyclohexan-1-one
CID 107044535
2-[(2-chloro-5-fluorophenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 102616757
2,4-dichloro-1-[(4-propan-2-ylcyclohexyl)methyl]benzene
CID 21025447

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dichlorophenyl)methyl]-4-propan-2-ylcyclohexan-1-one?
The IUPAC name of 2-[(2,5-dichlorophenyl)methyl]-4-propan-2-ylcyclohexan-1-one (CID 65316836) is 2-[(2,5-dichlorophenyl)methyl]-4-propan-2-ylcyclohexan-1-one.
What is the SMILES notation for 2-[(2,5-dichlorophenyl)methyl]-4-propan-2-ylcyclohexan-1-one?
The canonical SMILES for 2-[(2,5-dichlorophenyl)methyl]-4-propan-2-ylcyclohexan-1-one is CC(C)C1CCC(=O)C(Cc2cc(Cl)ccc2Cl)C1.
What is the InChIKey of 2-[(2,5-dichlorophenyl)methyl]-4-propan-2-ylcyclohexan-1-one?
The InChIKey is GDUDJCKCPQOVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2O/c1-10(2)11-3-6-16(19)13(7-11)8-12-9-14(17)4-5-15(12)18/h4-5,9-11,13H,3,6-8H2,1-2H3.
What are the key properties of 2-[(2,5-dichlorophenyl)methyl]-4-propan-2-ylcyclohexan-1-one?
2-[(2,5-dichlorophenyl)methyl]-4-propan-2-ylcyclohexan-1-one has a molecular weight of 299.24 g/mol, XLogP of 5.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dichlorophenyl)methyl]-4-propan-2-ylcyclohexan-1-one is sourced from PubChem (CID 65316836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).