bis(3,5-dimethylphenyl)methanone

C17H18O — CID 15640171

IUPACbis(3,5-dimethylphenyl)methanone
SMILESCc1cc(C)cc(C(=O)c2cc(C)cc(C)c2)c1
InChIInChI=1S/C17H18O/c1-11-5-12(2)8-15(7-11)17(18)16-9-13(3)6-14(4)10-16/h5-10H,1-4H3
InChIKeyRRQBKRVEGBYEBR-UHFFFAOYSA-N
MW238.33 g/mol
LogP4.15
Rot. Bonds2

About bis(3,5-dimethylphenyl)methanone

bis(3,5-dimethylphenyl)methanone (PubChem CID 15640171) has the molecular formula C17H18O and a molecular weight of 238.33 g/mol. Its IUPAC name is bis(3,5-dimethylphenyl)methanone.

Molecular Properties

Compound Namebis(3,5-dimethylphenyl)methanone
PubChem CID15640171
Molecular FormulaC17H18O
Molecular Weight238.33 g/mol
Exact Mass238.14
IUPAC Namebis(3,5-dimethylphenyl)methanone
SMILESCc1cc(C)cc(C(=O)c2cc(C)cc(C)c2)c1
InChIInChI=1S/C17H18O/c1-11-5-12(2)8-15(7-11)17(18)16-9-13(3)6-14(4)10-16/h5-10H,1-4H3
InChIKeyRRQBKRVEGBYEBR-UHFFFAOYSA-N
XLogP4.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3,5-dimethylphenyl)-(4-fluorophenyl)methanone
CID 43159976
[3-[3,5-bis(3,5-dimethylbenzoyl)benzoyl]-5-[(3,5-dimethylphenyl)-hydroxymethyl]phenyl]-(3,5-dimethylphenyl)methanone
CID 123849571
(4-amino-3,5-dichlorophenyl)-(3,5-dimethylphenyl)methanone
CID 116609737
(3,4-dichlorophenyl)-(3,5-dimethylphenyl)methanone
CID 2758091
[4-(3,5-dimethylbenzoyl)phenyl] acetate
CID 24723053
(3,5-dimethylphenyl)-(2,5-dimethylthiophen-3-yl)methanone
CID 43161427
(3,5-dimethylbenzoyl) 3,5-dimethylbenzoate
CID 11780991
[3-(dimethylamino)phenyl]-(3,5-dimethylphenyl)methanone
CID 105080904
(3-chloro-4-fluorophenyl)-(3,5-dimethylphenyl)methanone
CID 55186407
(E)-2,3-bis(3,5-dimethylphenyl)but-2-enediamide
CID 174720446
bis(3-methylphenyl)methanone
CID 17848
(2,5-dichlorophenyl)-(3,5-dimethylphenyl)methanone
CID 43344611

Frequently Asked Questions

What is the IUPAC name of bis(3,5-dimethylphenyl)methanone?
The IUPAC name of bis(3,5-dimethylphenyl)methanone (CID 15640171) is bis(3,5-dimethylphenyl)methanone.
What is the SMILES notation for bis(3,5-dimethylphenyl)methanone?
The canonical SMILES for bis(3,5-dimethylphenyl)methanone is Cc1cc(C)cc(C(=O)c2cc(C)cc(C)c2)c1.
What is the InChIKey of bis(3,5-dimethylphenyl)methanone?
The InChIKey is RRQBKRVEGBYEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O/c1-11-5-12(2)8-15(7-11)17(18)16-9-13(3)6-14(4)10-16/h5-10H,1-4H3.
What are the key properties of bis(3,5-dimethylphenyl)methanone?
bis(3,5-dimethylphenyl)methanone has a molecular weight of 238.33 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,5-dimethylphenyl)methanone is sourced from PubChem (CID 15640171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).