(2-chloro-4-methylphenyl)-(2,4,5-trimethylphenyl)methanone

C17H17ClO — CID 106864991

IUPAC(2-chloro-4-methylphenyl)-(2,4,5-trimethylphenyl)methanone
SMILESCc1ccc(C(=O)c2cc(C)c(C)cc2C)c(Cl)c1
InChIInChI=1S/C17H17ClO/c1-10-5-6-14(16(18)7-10)17(19)15-9-12(3)11(2)8-13(15)4/h5-9H,1-4H3
InChIKeyJZXOULKWIFVPTC-UHFFFAOYSA-N
MW272.77 g/mol
LogP4.80
Rot. Bonds2

About (2-chloro-4-methylphenyl)-(2,4,5-trimethylphenyl)methanone

(2-chloro-4-methylphenyl)-(2,4,5-trimethylphenyl)methanone (PubChem CID 106864991) has the molecular formula C17H17ClO and a molecular weight of 272.77 g/mol. Its IUPAC name is (2-chloro-4-methylphenyl)-(2,4,5-trimethylphenyl)methanone.

Molecular Properties

Compound Name(2-chloro-4-methylphenyl)-(2,4,5-trimethylphenyl)methanone
PubChem CID106864991
Molecular FormulaC17H17ClO
Molecular Weight272.77 g/mol
Exact Mass272.10
IUPAC Name(2-chloro-4-methylphenyl)-(2,4,5-trimethylphenyl)methanone
SMILESCc1ccc(C(=O)c2cc(C)c(C)cc2C)c(Cl)c1
InChIInChI=1S/C17H17ClO/c1-10-5-6-14(16(18)7-10)17(19)15-9-12(3)11(2)8-13(15)4/h5-9H,1-4H3
InChIKeyJZXOULKWIFVPTC-UHFFFAOYSA-N
XLogP4.80
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.77
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2-chloro-4-methylphenyl)-(4,5-dimethoxy-2-methylphenyl)methanone
CID 106860799
(4-bromo-2-chlorophenyl)-(2,5-dimethylphenyl)methanone
CID 43805047
(2-chloro-4-fluorophenyl)-(2,5-dimethylphenyl)methanone
CID 43159718
(4-bromo-2-methylphenyl)-(2-chloro-4,5-dimethylphenyl)methanone
CID 113319354
(2-bromo-5-methylphenyl)-(2-chloro-4,5-dimethylphenyl)methanone
CID 113319368
(2-chloro-4-methylphenyl)-(4-propan-2-ylphenyl)methanone
CID 106860797
(3-chloro-2,4-dimethoxyphenyl)-(2-chloro-4-methylphenyl)methanone
CID 106860870
1-(2-chloro-4-methylphenyl)butan-1-one
CID 13175615
(5-bromo-2-chlorophenyl)-(2,5-dimethylphenyl)methanone
CID 43378824
(4-bromo-2-methylphenyl)-(2,4-dichlorophenyl)methanone
CID 63492688
(2-chloro-4-methylphenyl)-(5-methylthiophen-2-yl)methanone
CID 106860754
(4-fluoro-2-methylphenyl)-(2,4,5-trimethylphenyl)methanone
CID 81273528

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-methylphenyl)-(2,4,5-trimethylphenyl)methanone?
The IUPAC name of (2-chloro-4-methylphenyl)-(2,4,5-trimethylphenyl)methanone (CID 106864991) is (2-chloro-4-methylphenyl)-(2,4,5-trimethylphenyl)methanone.
What is the SMILES notation for (2-chloro-4-methylphenyl)-(2,4,5-trimethylphenyl)methanone?
The canonical SMILES for (2-chloro-4-methylphenyl)-(2,4,5-trimethylphenyl)methanone is Cc1ccc(C(=O)c2cc(C)c(C)cc2C)c(Cl)c1.
What is the InChIKey of (2-chloro-4-methylphenyl)-(2,4,5-trimethylphenyl)methanone?
The InChIKey is JZXOULKWIFVPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO/c1-10-5-6-14(16(18)7-10)17(19)15-9-12(3)11(2)8-13(15)4/h5-9H,1-4H3.
What are the key properties of (2-chloro-4-methylphenyl)-(2,4,5-trimethylphenyl)methanone?
(2-chloro-4-methylphenyl)-(2,4,5-trimethylphenyl)methanone has a molecular weight of 272.77 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-methylphenyl)-(2,4,5-trimethylphenyl)methanone is sourced from PubChem (CID 106864991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).