(2,4-dimethylphenyl)-(4-propan-2-ylphenyl)methanone

C18H20O — CID 43337891

IUPAC(2,4-dimethylphenyl)-(4-propan-2-ylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(C(C)C)cc2)c(C)c1
InChIInChI=1S/C18H20O/c1-12(2)15-6-8-16(9-7-15)18(19)17-10-5-13(3)11-14(17)4/h5-12H,1-4H3
InChIKeyPBWVQELNFCXLAB-UHFFFAOYSA-N
MW252.36 g/mol
LogP4.66
Rot. Bonds3

About (2,4-dimethylphenyl)-(4-propan-2-ylphenyl)methanone

(2,4-dimethylphenyl)-(4-propan-2-ylphenyl)methanone (PubChem CID 43337891) has the molecular formula C18H20O and a molecular weight of 252.36 g/mol. Its IUPAC name is (2,4-dimethylphenyl)-(4-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name(2,4-dimethylphenyl)-(4-propan-2-ylphenyl)methanone
PubChem CID43337891
Molecular FormulaC18H20O
Molecular Weight252.36 g/mol
Exact Mass252.15
IUPAC Name(2,4-dimethylphenyl)-(4-propan-2-ylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(C(C)C)cc2)c(C)c1
InChIInChI=1S/C18H20O/c1-12(2)15-6-8-16(9-7-15)18(19)17-10-5-13(3)11-14(17)4/h5-12H,1-4H3
InChIKeyPBWVQELNFCXLAB-UHFFFAOYSA-N
XLogP4.66
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylphenyl)-(4-propan-2-ylphenyl)methanone?
The IUPAC name of (2,4-dimethylphenyl)-(4-propan-2-ylphenyl)methanone (CID 43337891) is (2,4-dimethylphenyl)-(4-propan-2-ylphenyl)methanone.
What is the SMILES notation for (2,4-dimethylphenyl)-(4-propan-2-ylphenyl)methanone?
The canonical SMILES for (2,4-dimethylphenyl)-(4-propan-2-ylphenyl)methanone is Cc1ccc(C(=O)c2ccc(C(C)C)cc2)c(C)c1.
What is the InChIKey of (2,4-dimethylphenyl)-(4-propan-2-ylphenyl)methanone?
The InChIKey is PBWVQELNFCXLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O/c1-12(2)15-6-8-16(9-7-15)18(19)17-10-5-13(3)11-14(17)4/h5-12H,1-4H3.
What are the key properties of (2,4-dimethylphenyl)-(4-propan-2-ylphenyl)methanone?
(2,4-dimethylphenyl)-(4-propan-2-ylphenyl)methanone has a molecular weight of 252.36 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylphenyl)-(4-propan-2-ylphenyl)methanone is sourced from PubChem (CID 43337891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).