(2,4-dichlorophenyl)-[3-(2-methylpropyl)phenyl]methanone

C17H16Cl2O — CID 115812297

IUPAC(2,4-dichlorophenyl)-[3-(2-methylpropyl)phenyl]methanone
SMILESCC(C)Cc1cccc(C(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C17H16Cl2O/c1-11(2)8-12-4-3-5-13(9-12)17(20)15-7-6-14(18)10-16(15)19/h3-7,9-11H,8H2,1-2H3
InChIKeyUVTOHMTWLJJOGC-UHFFFAOYSA-N
MW307.22 g/mol
LogP5.42
Rot. Bonds4

About (2,4-dichlorophenyl)-[3-(2-methylpropyl)phenyl]methanone

(2,4-dichlorophenyl)-[3-(2-methylpropyl)phenyl]methanone (PubChem CID 115812297) has the molecular formula C17H16Cl2O and a molecular weight of 307.22 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-[3-(2-methylpropyl)phenyl]methanone.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-[3-(2-methylpropyl)phenyl]methanone
PubChem CID115812297
Molecular FormulaC17H16Cl2O
Molecular Weight307.22 g/mol
Exact Mass306.06
IUPAC Name(2,4-dichlorophenyl)-[3-(2-methylpropyl)phenyl]methanone
SMILESCC(C)Cc1cccc(C(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C17H16Cl2O/c1-11(2)8-12-4-3-5-13(9-12)17(20)15-7-6-14(18)10-16(15)19/h3-7,9-11H,8H2,1-2H3
InChIKeyUVTOHMTWLJJOGC-UHFFFAOYSA-N
XLogP5.42
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.22
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-chloro-2-fluorophenyl)-[3-(2-methylpropyl)phenyl]methanone
CID 116543206
(2,4-dichlorophenyl)-(3-propylphenyl)methanone
CID 115812034
[3-(2-methylpropyl)phenyl]-(2,3,4-trifluorophenyl)methanone
CID 115812361
(3-chloro-2-methylphenyl)-[3-(2-methylpropyl)phenyl]methanone
CID 107101871
(5-bromo-2-chlorophenyl)-[3-(2-methylpropyl)phenyl]methanone
CID 115812294
(2,6-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanone
CID 116543370
(2,4-dichlorophenyl)-[3-(2,5-dihydropyrrol-1-ylmethyl)phenyl]methanone
CID 24725107
(4-fluoro-2-methylphenyl)-[3-(2-methylpropyl)phenyl]methanone
CID 116543423
(2,4-dichlorophenyl)-(3-fluorophenyl)methanone
CID 61271846
2-(2,6-dichlorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanone
CID 116543159
(2,4-dichlorophenyl)-(3-methylsulfanylphenyl)methanone
CID 146007568
(2,5-dibromophenyl)-[3-(2-methylpropyl)phenyl]methanone
CID 115812427

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-[3-(2-methylpropyl)phenyl]methanone?
The IUPAC name of (2,4-dichlorophenyl)-[3-(2-methylpropyl)phenyl]methanone (CID 115812297) is (2,4-dichlorophenyl)-[3-(2-methylpropyl)phenyl]methanone.
What is the SMILES notation for (2,4-dichlorophenyl)-[3-(2-methylpropyl)phenyl]methanone?
The canonical SMILES for (2,4-dichlorophenyl)-[3-(2-methylpropyl)phenyl]methanone is CC(C)Cc1cccc(C(=O)c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of (2,4-dichlorophenyl)-[3-(2-methylpropyl)phenyl]methanone?
The InChIKey is UVTOHMTWLJJOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2O/c1-11(2)8-12-4-3-5-13(9-12)17(20)15-7-6-14(18)10-16(15)19/h3-7,9-11H,8H2,1-2H3.
What are the key properties of (2,4-dichlorophenyl)-[3-(2-methylpropyl)phenyl]methanone?
(2,4-dichlorophenyl)-[3-(2-methylpropyl)phenyl]methanone has a molecular weight of 307.22 g/mol, XLogP of 5.42, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-[3-(2-methylpropyl)phenyl]methanone is sourced from PubChem (CID 115812297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).