4-ethyl-2-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-one

C18H26O — CID 63399215

IUPAC4-ethyl-2-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-one
SMILESCCC1CCC(=O)C(Cc2ccc(C(C)C)cc2)C1
InChIInChI=1S/C18H26O/c1-4-14-7-10-18(19)17(11-14)12-15-5-8-16(9-6-15)13(2)3/h5-6,8-9,13-14,17H,4,7,10-12H2,1-3H3
InChIKeyZLXOWWAIVJMTQO-UHFFFAOYSA-N
MW258.41 g/mol
LogP4.75
Rot. Bonds4

About 4-ethyl-2-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-one

4-ethyl-2-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-one (PubChem CID 63399215) has the molecular formula C18H26O and a molecular weight of 258.41 g/mol. Its IUPAC name is 4-ethyl-2-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-ethyl-2-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-one
PubChem CID63399215
Molecular FormulaC18H26O
Molecular Weight258.41 g/mol
Exact Mass258.20
IUPAC Name4-ethyl-2-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-one
SMILESCCC1CCC(=O)C(Cc2ccc(C(C)C)cc2)C1
InChIInChI=1S/C18H26O/c1-4-14-7-10-18(19)17(11-14)12-15-5-8-16(9-6-15)13(2)3/h5-6,8-9,13-14,17H,4,7,10-12H2,1-3H3
InChIKeyZLXOWWAIVJMTQO-UHFFFAOYSA-N
XLogP4.75
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-one?
The IUPAC name of 4-ethyl-2-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-one (CID 63399215) is 4-ethyl-2-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-one.
What is the SMILES notation for 4-ethyl-2-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-one?
The canonical SMILES for 4-ethyl-2-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-one is CCC1CCC(=O)C(Cc2ccc(C(C)C)cc2)C1.
What is the InChIKey of 4-ethyl-2-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-one?
The InChIKey is ZLXOWWAIVJMTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O/c1-4-14-7-10-18(19)17(11-14)12-15-5-8-16(9-6-15)13(2)3/h5-6,8-9,13-14,17H,4,7,10-12H2,1-3H3.
What are the key properties of 4-ethyl-2-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-one?
4-ethyl-2-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-one has a molecular weight of 258.41 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-one is sourced from PubChem (CID 63399215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).