(3,5-dimethylphenyl)-(3-propylphenyl)methanone

C18H20O — CID 115811990

IUPAC(3,5-dimethylphenyl)-(3-propylphenyl)methanone
SMILESCCCc1cccc(C(=O)c2cc(C)cc(C)c2)c1
InChIInChI=1S/C18H20O/c1-4-6-15-7-5-8-16(12-15)18(19)17-10-13(2)9-14(3)11-17/h5,7-12H,4,6H2,1-3H3
InChIKeyQIINCFYTHAMSIN-UHFFFAOYSA-N
MW252.36 g/mol
LogP4.49
Rot. Bonds4

About (3,5-dimethylphenyl)-(3-propylphenyl)methanone

(3,5-dimethylphenyl)-(3-propylphenyl)methanone (PubChem CID 115811990) has the molecular formula C18H20O and a molecular weight of 252.36 g/mol. Its IUPAC name is (3,5-dimethylphenyl)-(3-propylphenyl)methanone.

Molecular Properties

Compound Name(3,5-dimethylphenyl)-(3-propylphenyl)methanone
PubChem CID115811990
Molecular FormulaC18H20O
Molecular Weight252.36 g/mol
Exact Mass252.15
IUPAC Name(3,5-dimethylphenyl)-(3-propylphenyl)methanone
SMILESCCCc1cccc(C(=O)c2cc(C)cc(C)c2)c1
InChIInChI=1S/C18H20O/c1-4-6-15-7-5-8-16(12-15)18(19)17-10-13(2)9-14(3)11-17/h5,7-12H,4,6H2,1-3H3
InChIKeyQIINCFYTHAMSIN-UHFFFAOYSA-N
XLogP4.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-amino-3,5-dichlorophenyl)-(3-propylphenyl)methanone
CID 116609874
[3-(dimethylamino)phenyl]-(3-propylphenyl)methanone
CID 105133978
(3-propoxyphenyl)-(3-propylphenyl)methanone
CID 115812256
2-(4-methylphenyl)-1-(3-propylphenyl)ethanone
CID 116543168
[3-(aminomethyl)phenyl]-(4-propylphenyl)methanone
CID 116917494
(3-amino-5-methylphenyl)-(4-propylphenyl)methanone
CID 113396436
methyl 3-propylbenzoate
CID 12861009
2-amino-1-(3-propylphenyl)ethanone
CID 116548428
bis(3-methylphenyl)methanone
CID 17848
1-phenyl-2-(3-propylphenyl)ethanone
CID 152762612
bis(3,5-dimethylphenyl)methanone
CID 15640171
bis[3-(2-bromoethyl)phenyl]methanone
CID 175893594

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylphenyl)-(3-propylphenyl)methanone?
The IUPAC name of (3,5-dimethylphenyl)-(3-propylphenyl)methanone (CID 115811990) is (3,5-dimethylphenyl)-(3-propylphenyl)methanone.
What is the SMILES notation for (3,5-dimethylphenyl)-(3-propylphenyl)methanone?
The canonical SMILES for (3,5-dimethylphenyl)-(3-propylphenyl)methanone is CCCc1cccc(C(=O)c2cc(C)cc(C)c2)c1.
What is the InChIKey of (3,5-dimethylphenyl)-(3-propylphenyl)methanone?
The InChIKey is QIINCFYTHAMSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O/c1-4-6-15-7-5-8-16(12-15)18(19)17-10-13(2)9-14(3)11-17/h5,7-12H,4,6H2,1-3H3.
What are the key properties of (3,5-dimethylphenyl)-(3-propylphenyl)methanone?
(3,5-dimethylphenyl)-(3-propylphenyl)methanone has a molecular weight of 252.36 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylphenyl)-(3-propylphenyl)methanone is sourced from PubChem (CID 115811990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).