4-(2-benzyl-4-chlorophenoxy)pentan-2-one

C18H19ClO2 — CID 64697546

IUPAC4-(2-benzyl-4-chlorophenoxy)pentan-2-one
SMILESCC(=O)CC(C)Oc1ccc(Cl)cc1Cc1ccccc1
InChIInChI=1S/C18H19ClO2/c1-13(20)10-14(2)21-18-9-8-17(19)12-16(18)11-15-6-4-3-5-7-15/h3-9,12,14H,10-11H2,1-2H3
InChIKeyXFJFMXAVXAWHCV-UHFFFAOYSA-N
MW302.80 g/mol
LogP4.68
Rot. Bonds6

About 4-(2-benzyl-4-chlorophenoxy)pentan-2-one

4-(2-benzyl-4-chlorophenoxy)pentan-2-one (PubChem CID 64697546) has the molecular formula C18H19ClO2 and a molecular weight of 302.80 g/mol. Its IUPAC name is 4-(2-benzyl-4-chlorophenoxy)pentan-2-one.

Molecular Properties

Compound Name4-(2-benzyl-4-chlorophenoxy)pentan-2-one
PubChem CID64697546
Molecular FormulaC18H19ClO2
Molecular Weight302.80 g/mol
Exact Mass302.11
IUPAC Name4-(2-benzyl-4-chlorophenoxy)pentan-2-one
SMILESCC(=O)CC(C)Oc1ccc(Cl)cc1Cc1ccccc1
InChIInChI=1S/C18H19ClO2/c1-13(20)10-14(2)21-18-9-8-17(19)12-16(18)11-15-6-4-3-5-7-15/h3-9,12,14H,10-11H2,1-2H3
InChIKeyXFJFMXAVXAWHCV-UHFFFAOYSA-N
XLogP4.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.80
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-benzyl-4-chlorophenoxy)pentan-3-one
CID 64866316
1-(2-benzyl-4-chlorophenoxy)propan-2-one
CID 60626538
4-[2-(hydroxymethyl)phenoxy]pentan-2-one
CID 64697349
2-(2-benzyl-4-chlorophenoxy)-N-ethylacetamide
CID 9292846
4-(4-chlorophenoxy)pentan-2-one
CID 64698945
1-(5-chloro-2-phenylmethoxyphenyl)propan-2-one;hydrochloride
CID 172689166
(3R)-3-(2-bromo-4-chlorophenoxy)butanoic acid
CID 103547713
(2R)-1-[4-(2-benzyl-4-chlorophenoxy)butylamino]propan-2-ol
CID 2231726
(4S)-4-phenylmethoxypentan-2-one
CID 13214355
2-benzyl-N-(5-chloro-2-methoxyphenyl)benzamide
CID 26095026
(2R)-1-[2-[2-(2-benzyl-4-chlorophenoxy)ethoxy]ethylamino]propan-2-ol
CID 2231761
[5-chloro-2-(4-methylpentan-2-yloxy)phenyl]methanamine
CID 62494700

Frequently Asked Questions

What is the IUPAC name of 4-(2-benzyl-4-chlorophenoxy)pentan-2-one?
The IUPAC name of 4-(2-benzyl-4-chlorophenoxy)pentan-2-one (CID 64697546) is 4-(2-benzyl-4-chlorophenoxy)pentan-2-one.
What is the SMILES notation for 4-(2-benzyl-4-chlorophenoxy)pentan-2-one?
The canonical SMILES for 4-(2-benzyl-4-chlorophenoxy)pentan-2-one is CC(=O)CC(C)Oc1ccc(Cl)cc1Cc1ccccc1.
What is the InChIKey of 4-(2-benzyl-4-chlorophenoxy)pentan-2-one?
The InChIKey is XFJFMXAVXAWHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClO2/c1-13(20)10-14(2)21-18-9-8-17(19)12-16(18)11-15-6-4-3-5-7-15/h3-9,12,14H,10-11H2,1-2H3.
What are the key properties of 4-(2-benzyl-4-chlorophenoxy)pentan-2-one?
4-(2-benzyl-4-chlorophenoxy)pentan-2-one has a molecular weight of 302.80 g/mol, XLogP of 4.68, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-benzyl-4-chlorophenoxy)pentan-2-one is sourced from PubChem (CID 64697546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).