1,2-bis(3-methylphenyl)propan-1-one

C17H18O — CID 145487890

IUPAC1,2-bis(3-methylphenyl)propan-1-one
SMILESCc1cccc(C(=O)C(C)c2cccc(C)c2)c1
InChIInChI=1S/C17H18O/c1-12-6-4-8-15(10-12)14(3)17(18)16-9-5-7-13(2)11-16/h4-11,14H,1-3H3
InChIKeyAJRURHBWGUIRFU-UHFFFAOYSA-N
MW238.33 g/mol
LogP4.29
Rot. Bonds3

About 1,2-bis(3-methylphenyl)propan-1-one

1,2-bis(3-methylphenyl)propan-1-one (PubChem CID 145487890) has the molecular formula C17H18O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1,2-bis(3-methylphenyl)propan-1-one.

Molecular Properties

Compound Name1,2-bis(3-methylphenyl)propan-1-one
PubChem CID145487890
Molecular FormulaC17H18O
Molecular Weight238.33 g/mol
Exact Mass238.14
IUPAC Name1,2-bis(3-methylphenyl)propan-1-one
SMILESCc1cccc(C(=O)C(C)c2cccc(C)c2)c1
InChIInChI=1S/C17H18O/c1-12-6-4-8-15(10-12)14(3)17(18)16-9-5-7-13(2)11-16/h4-11,14H,1-3H3
InChIKeyAJRURHBWGUIRFU-UHFFFAOYSA-N
XLogP4.29
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 ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-methylphenyl)-2-phenylpropan-1-one
CID 13096072
(2S)-2-(3-methylphenyl)propanoate
CID 86312552
3-(3-methylphenyl)-2-oxobutanoic acid
CID 15158864
sodium 2-(3-methylphenyl)propanoate
CID 23706698
2-methyl-3-(3-methylphenyl)-3-oxopropanamide
CID 121217094
2-(methylamino)-1-(3-methylphenyl)propan-1-one;hydrochloride
CID 71750436
ethyl (2S)-2-(3-methylphenyl)propanoate
CID 14891800
2-cyclopropyl-2-hydroxy-1-(3-methylphenyl)ethanone
CID 103455848
[1-(3-methylphenyl)-1-oxopropan-2-yl] acetate
CID 174596845
bis(3-methylphenyl)methanone
CID 17848
3-methylbenzamide;2-methylpropane
CID 160767336
[1,3-bis(3-methylphenyl)-1,3-dioxopropan-2-yl]phosphonic acid
CID 66796244

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(3-methylphenyl)propan-1-one?
The IUPAC name of 1,2-bis(3-methylphenyl)propan-1-one (CID 145487890) is 1,2-bis(3-methylphenyl)propan-1-one.
What is the SMILES notation for 1,2-bis(3-methylphenyl)propan-1-one?
The canonical SMILES for 1,2-bis(3-methylphenyl)propan-1-one is Cc1cccc(C(=O)C(C)c2cccc(C)c2)c1.
What is the InChIKey of 1,2-bis(3-methylphenyl)propan-1-one?
The InChIKey is AJRURHBWGUIRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O/c1-12-6-4-8-15(10-12)14(3)17(18)16-9-5-7-13(2)11-16/h4-11,14H,1-3H3.
What are the key properties of 1,2-bis(3-methylphenyl)propan-1-one?
1,2-bis(3-methylphenyl)propan-1-one has a molecular weight of 238.33 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(3-methylphenyl)propan-1-one is sourced from PubChem (CID 145487890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).