3-chloro-1-(2,4,6-triethylphenyl)propan-1-one

C15H21ClO — CID 104645894

IUPAC3-chloro-1-(2,4,6-triethylphenyl)propan-1-one
SMILESCCc1cc(CC)c(C(=O)CCCl)c(CC)c1
InChIInChI=1S/C15H21ClO/c1-4-11-9-12(5-2)15(13(6-3)10-11)14(17)7-8-16/h9-10H,4-8H2,1-3H3
InChIKeySPXSIIUVGBNXAX-UHFFFAOYSA-N
MW252.78 g/mol
LogP4.19
Rot. Bonds6

About 3-chloro-1-(2,4,6-triethylphenyl)propan-1-one

3-chloro-1-(2,4,6-triethylphenyl)propan-1-one (PubChem CID 104645894) has the molecular formula C15H21ClO and a molecular weight of 252.78 g/mol. Its IUPAC name is 3-chloro-1-(2,4,6-triethylphenyl)propan-1-one.

Molecular Properties

Compound Name3-chloro-1-(2,4,6-triethylphenyl)propan-1-one
PubChem CID104645894
Molecular FormulaC15H21ClO
Molecular Weight252.78 g/mol
Exact Mass252.13
IUPAC Name3-chloro-1-(2,4,6-triethylphenyl)propan-1-one
SMILESCCc1cc(CC)c(C(=O)CCCl)c(CC)c1
InChIInChI=1S/C15H21ClO/c1-4-11-9-12(5-2)15(13(6-3)10-11)14(17)7-8-16/h9-10H,4-8H2,1-3H3
InChIKeySPXSIIUVGBNXAX-UHFFFAOYSA-N
XLogP4.19
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.78
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2,4,6-triethylbenzoyl iodide
CID 139959913
1-(2-bromo-4-ethylphenyl)-3-chloropropan-1-one
CID 118846965
2-[3-(3-chloropropanoyl)-5-ethylphenyl]-2-hydroxyacetic acid
CID 134655933
ethyl 2,4,6-triethylbenzoate
CID 12702183
2,4-diethyl-N,6-dihydroxybenzamide
CID 45094929
1-(2,4,6-triethylphenyl)prop-2-en-1-one
CID 103522560
[methyl-(2,4,6-triethylbenzoyl)phosphoryl]-(2,4,6-triethylphenyl)methanone
CID 54544995
1-[5-(bromomethyl)-2-ethylphenyl]-3-chloropropan-1-one
CID 131500040
(2,4,6-triethylphenyl)aluminum(2+)
CID 22768319
3-chloro-1-(2,4-difluoro-6-hydroxyphenyl)propan-1-one
CID 163196629
(2,2-dimethylcyclopropyl)-(2,4,6-triethylphenyl)methanone
CID 107000810
2-(3-chloropropyl)-1,4-diethylbenzene
CID 83920895

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(2,4,6-triethylphenyl)propan-1-one?
The IUPAC name of 3-chloro-1-(2,4,6-triethylphenyl)propan-1-one (CID 104645894) is 3-chloro-1-(2,4,6-triethylphenyl)propan-1-one.
What is the SMILES notation for 3-chloro-1-(2,4,6-triethylphenyl)propan-1-one?
The canonical SMILES for 3-chloro-1-(2,4,6-triethylphenyl)propan-1-one is CCc1cc(CC)c(C(=O)CCCl)c(CC)c1.
What is the InChIKey of 3-chloro-1-(2,4,6-triethylphenyl)propan-1-one?
The InChIKey is SPXSIIUVGBNXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClO/c1-4-11-9-12(5-2)15(13(6-3)10-11)14(17)7-8-16/h9-10H,4-8H2,1-3H3.
What are the key properties of 3-chloro-1-(2,4,6-triethylphenyl)propan-1-one?
3-chloro-1-(2,4,6-triethylphenyl)propan-1-one has a molecular weight of 252.78 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(2,4,6-triethylphenyl)propan-1-one is sourced from PubChem (CID 104645894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).