1-(4-methylcyclohexyl)-2-[4-[(4-methylcyclohexyl)methyl]phenyl]propan-1-one

C24H36O — CID 90124572

IUPAC1-(4-methylcyclohexyl)-2-[4-[(4-methylcyclohexyl)methyl]phenyl]propan-1-one
SMILESCC1CCC(Cc2ccc(C(C)C(=O)C3CCC(C)CC3)cc2)CC1
InChIInChI=1S/C24H36O/c1-17-4-8-20(9-5-17)16-21-10-14-22(15-11-21)19(3)24(25)23-12-6-18(2)7-13-23/h10-11,14-15,17-20,23H,4-9,12-13,16H2,1-3H3
InChIKeyHLCJXHUJABIDJO-UHFFFAOYSA-N
MW340.55 g/mol
LogP6.55
Rot. Bonds5

About 1-(4-methylcyclohexyl)-2-[4-[(4-methylcyclohexyl)methyl]phenyl]propan-1-one

1-(4-methylcyclohexyl)-2-[4-[(4-methylcyclohexyl)methyl]phenyl]propan-1-one (PubChem CID 90124572) has the molecular formula C24H36O and a molecular weight of 340.55 g/mol. Its IUPAC name is 1-(4-methylcyclohexyl)-2-[4-[(4-methylcyclohexyl)methyl]phenyl]propan-1-one.

Molecular Properties

Compound Name1-(4-methylcyclohexyl)-2-[4-[(4-methylcyclohexyl)methyl]phenyl]propan-1-one
PubChem CID90124572
Molecular FormulaC24H36O
Molecular Weight340.55 g/mol
Exact Mass340.28
IUPAC Name1-(4-methylcyclohexyl)-2-[4-[(4-methylcyclohexyl)methyl]phenyl]propan-1-one
SMILESCC1CCC(Cc2ccc(C(C)C(=O)C3CCC(C)CC3)cc2)CC1
InChIInChI=1S/C24H36O/c1-17-4-8-20(9-5-17)16-21-10-14-22(15-11-21)19(3)24(25)23-12-6-18(2)7-13-23/h10-11,14-15,17-20,23H,4-9,12-13,16H2,1-3H3
InChIKeyHLCJXHUJABIDJO-UHFFFAOYSA-N
XLogP6.55
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.55
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclohexyl)-2-[4-[(4-methylcyclohexyl)methyl]phenyl]propan-1-one?
The IUPAC name of 1-(4-methylcyclohexyl)-2-[4-[(4-methylcyclohexyl)methyl]phenyl]propan-1-one (CID 90124572) is 1-(4-methylcyclohexyl)-2-[4-[(4-methylcyclohexyl)methyl]phenyl]propan-1-one.
What is the SMILES notation for 1-(4-methylcyclohexyl)-2-[4-[(4-methylcyclohexyl)methyl]phenyl]propan-1-one?
The canonical SMILES for 1-(4-methylcyclohexyl)-2-[4-[(4-methylcyclohexyl)methyl]phenyl]propan-1-one is CC1CCC(Cc2ccc(C(C)C(=O)C3CCC(C)CC3)cc2)CC1.
What is the InChIKey of 1-(4-methylcyclohexyl)-2-[4-[(4-methylcyclohexyl)methyl]phenyl]propan-1-one?
The InChIKey is HLCJXHUJABIDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36O/c1-17-4-8-20(9-5-17)16-21-10-14-22(15-11-21)19(3)24(25)23-12-6-18(2)7-13-23/h10-11,14-15,17-20,23H,4-9,12-13,16H2,1-3H3.
What are the key properties of 1-(4-methylcyclohexyl)-2-[4-[(4-methylcyclohexyl)methyl]phenyl]propan-1-one?
1-(4-methylcyclohexyl)-2-[4-[(4-methylcyclohexyl)methyl]phenyl]propan-1-one has a molecular weight of 340.55 g/mol, XLogP of 6.55, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohexyl)-2-[4-[(4-methylcyclohexyl)methyl]phenyl]propan-1-one is sourced from PubChem (CID 90124572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).