(4-butylphenyl)-(2,6-dichlorophenyl)methanone

C17H16Cl2O — CID 43160097

IUPAC(4-butylphenyl)-(2,6-dichlorophenyl)methanone
SMILESCCCCc1ccc(C(=O)c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C17H16Cl2O/c1-2-3-5-12-8-10-13(11-9-12)17(20)16-14(18)6-4-7-15(16)19/h4,6-11H,2-3,5H2,1H3
InChIKeyCRAWFYHMBCDCGL-UHFFFAOYSA-N
MW307.22 g/mol
LogP5.57
Rot. Bonds5

About (4-butylphenyl)-(2,6-dichlorophenyl)methanone

(4-butylphenyl)-(2,6-dichlorophenyl)methanone (PubChem CID 43160097) has the molecular formula C17H16Cl2O and a molecular weight of 307.22 g/mol. Its IUPAC name is (4-butylphenyl)-(2,6-dichlorophenyl)methanone.

Molecular Properties

Compound Name(4-butylphenyl)-(2,6-dichlorophenyl)methanone
PubChem CID43160097
Molecular FormulaC17H16Cl2O
Molecular Weight307.22 g/mol
Exact Mass306.06
IUPAC Name(4-butylphenyl)-(2,6-dichlorophenyl)methanone
SMILESCCCCc1ccc(C(=O)c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C17H16Cl2O/c1-2-3-5-12-8-10-13(11-9-12)17(20)16-14(18)6-4-7-15(16)19/h4,6-11H,2-3,5H2,1H3
InChIKeyCRAWFYHMBCDCGL-UHFFFAOYSA-N
XLogP5.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.22
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-butylphenyl)-(4-hydroxyphenyl)methanone
CID 22132679
4-butylbenzoic acid;zinc
CID 175174767
CID 69445910
CID 69445910
[3-(4-butylbenzoyl)phenyl] acetate
CID 24722956
1-(4-butylphenyl)-2-hydroxyethanone
CID 95436919
2-(4-butylphenyl)-1-[4-[2-(4-butylphenyl)acetyl]phenyl]ethanone
CID 58311916
1-(2,6-dichlorophenyl)pentan-1-one
CID 83950203
CID 101297352
CID 101297352
1-(4-butylphenyl)-2-sulfanylethanone
CID 94681416
4-butyl-N,N-diethylbenzamide
CID 60675001
butylbenzene;carbonic acid
CID 158278492
(2,4,6-trichlorophenyl) 4-butylbenzoate
CID 91723724

Frequently Asked Questions

What is the IUPAC name of (4-butylphenyl)-(2,6-dichlorophenyl)methanone?
The IUPAC name of (4-butylphenyl)-(2,6-dichlorophenyl)methanone (CID 43160097) is (4-butylphenyl)-(2,6-dichlorophenyl)methanone.
What is the SMILES notation for (4-butylphenyl)-(2,6-dichlorophenyl)methanone?
The canonical SMILES for (4-butylphenyl)-(2,6-dichlorophenyl)methanone is CCCCc1ccc(C(=O)c2c(Cl)cccc2Cl)cc1.
What is the InChIKey of (4-butylphenyl)-(2,6-dichlorophenyl)methanone?
The InChIKey is CRAWFYHMBCDCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2O/c1-2-3-5-12-8-10-13(11-9-12)17(20)16-14(18)6-4-7-15(16)19/h4,6-11H,2-3,5H2,1H3.
What are the key properties of (4-butylphenyl)-(2,6-dichlorophenyl)methanone?
(4-butylphenyl)-(2,6-dichlorophenyl)methanone has a molecular weight of 307.22 g/mol, XLogP of 5.57, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butylphenyl)-(2,6-dichlorophenyl)methanone is sourced from PubChem (CID 43160097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).