2-methyl-1-(4-methyl-3-phenylphenyl)propan-1-one

C17H18O — CID 82117119

IUPAC2-methyl-1-(4-methyl-3-phenylphenyl)propan-1-one
SMILESCc1ccc(C(=O)C(C)C)cc1-c1ccccc1
InChIInChI=1S/C17H18O/c1-12(2)17(18)15-10-9-13(3)16(11-15)14-7-5-4-6-8-14/h4-12H,1-3H3
InChIKeyPRXGSMNSWNRRBY-UHFFFAOYSA-N
MW238.33 g/mol
LogP4.50
Rot. Bonds3

About 2-methyl-1-(4-methyl-3-phenylphenyl)propan-1-one

2-methyl-1-(4-methyl-3-phenylphenyl)propan-1-one (PubChem CID 82117119) has the molecular formula C17H18O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-methyl-1-(4-methyl-3-phenylphenyl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(4-methyl-3-phenylphenyl)propan-1-one
PubChem CID82117119
Molecular FormulaC17H18O
Molecular Weight238.33 g/mol
Exact Mass238.14
IUPAC Name2-methyl-1-(4-methyl-3-phenylphenyl)propan-1-one
SMILESCc1ccc(C(=O)C(C)C)cc1-c1ccccc1
InChIInChI=1S/C17H18O/c1-12(2)17(18)15-10-9-13(3)16(11-15)14-7-5-4-6-8-14/h4-12H,1-3H3
InChIKeyPRXGSMNSWNRRBY-UHFFFAOYSA-N
XLogP4.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methyl-3-phenylphenyl)propan-1-one?
The IUPAC name of 2-methyl-1-(4-methyl-3-phenylphenyl)propan-1-one (CID 82117119) is 2-methyl-1-(4-methyl-3-phenylphenyl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(4-methyl-3-phenylphenyl)propan-1-one?
The canonical SMILES for 2-methyl-1-(4-methyl-3-phenylphenyl)propan-1-one is Cc1ccc(C(=O)C(C)C)cc1-c1ccccc1.
What is the InChIKey of 2-methyl-1-(4-methyl-3-phenylphenyl)propan-1-one?
The InChIKey is PRXGSMNSWNRRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O/c1-12(2)17(18)15-10-9-13(3)16(11-15)14-7-5-4-6-8-14/h4-12H,1-3H3.
What are the key properties of 2-methyl-1-(4-methyl-3-phenylphenyl)propan-1-one?
2-methyl-1-(4-methyl-3-phenylphenyl)propan-1-one has a molecular weight of 238.33 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methyl-3-phenylphenyl)propan-1-one is sourced from PubChem (CID 82117119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).