1-(2-benzyl-4-chlorophenoxy)propan-2-one

C16H15ClO2 — CID 60626538

IUPAC1-(2-benzyl-4-chlorophenoxy)propan-2-one
SMILESCC(=O)COc1ccc(Cl)cc1Cc1ccccc1
InChIInChI=1S/C16H15ClO2/c1-12(18)11-19-16-8-7-15(17)10-14(16)9-13-5-3-2-4-6-13/h2-8,10H,9,11H2,1H3
InChIKeyBGRLOWGAQBKKQU-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.90
Rot. Bonds5

About 1-(2-benzyl-4-chlorophenoxy)propan-2-one

1-(2-benzyl-4-chlorophenoxy)propan-2-one (PubChem CID 60626538) has the molecular formula C16H15ClO2 and a molecular weight of 274.75 g/mol. Its IUPAC name is 1-(2-benzyl-4-chlorophenoxy)propan-2-one.

Molecular Properties

Compound Name1-(2-benzyl-4-chlorophenoxy)propan-2-one
PubChem CID60626538
Molecular FormulaC16H15ClO2
Molecular Weight274.75 g/mol
Exact Mass274.08
IUPAC Name1-(2-benzyl-4-chlorophenoxy)propan-2-one
SMILESCC(=O)COc1ccc(Cl)cc1Cc1ccccc1
InChIInChI=1S/C16H15ClO2/c1-12(18)11-19-16-8-7-15(17)10-14(16)9-13-5-3-2-4-6-13/h2-8,10H,9,11H2,1H3
InChIKeyBGRLOWGAQBKKQU-UHFFFAOYSA-N
XLogP3.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-benzyl-4-chlorophenoxy)-N-ethylacetamide
CID 9292846
4-(2-benzyl-4-chlorophenoxy)pentan-2-one
CID 64697546
1-(5-chloro-2-phenylmethoxyphenyl)propan-2-one;hydrochloride
CID 172689166
2-(2-benzyl-4-chlorophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 7671468
2-(2-benzyl-4-chlorophenoxy)-N-(4-methylsulfonylphenyl)acetamide
CID 33482790
5-chloro-2-(2-oxopropoxy)benzoic acid
CID 9118654
2-(2-benzyl-4-chlorophenoxy)pentan-3-one
CID 64866316
benzyl 2-[4-chloro-2-[(5-chloro-2-hydroxyphenyl)methyl]phenoxy]acetate;4-chloro-2-[(5-chloro-2-hydroxyphenyl)methyl]phenol
CID 158160589
N-[2-(2-benzyl-4-chlorophenoxy)ethyl]propan-1-amine
CID 63516060
2-[5-chloro-2-(3-phenylpropoxy)phenyl]acetic acid
CID 10638258
2-[4-chloro-2-[(4-chloro-2-hydroxyphenyl)methyl]phenoxy]acetic acid
CID 69118840
5-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyridine-3-carboxylic acid
CID 11646506

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzyl-4-chlorophenoxy)propan-2-one?
The IUPAC name of 1-(2-benzyl-4-chlorophenoxy)propan-2-one (CID 60626538) is 1-(2-benzyl-4-chlorophenoxy)propan-2-one.
What is the SMILES notation for 1-(2-benzyl-4-chlorophenoxy)propan-2-one?
The canonical SMILES for 1-(2-benzyl-4-chlorophenoxy)propan-2-one is CC(=O)COc1ccc(Cl)cc1Cc1ccccc1.
What is the InChIKey of 1-(2-benzyl-4-chlorophenoxy)propan-2-one?
The InChIKey is BGRLOWGAQBKKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO2/c1-12(18)11-19-16-8-7-15(17)10-14(16)9-13-5-3-2-4-6-13/h2-8,10H,9,11H2,1H3.
What are the key properties of 1-(2-benzyl-4-chlorophenoxy)propan-2-one?
1-(2-benzyl-4-chlorophenoxy)propan-2-one has a molecular weight of 274.75 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzyl-4-chlorophenoxy)propan-2-one is sourced from PubChem (CID 60626538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).