1-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pentan-2-one

C15H21ClO2 — CID 55221165

IUPAC1-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pentan-2-one
SMILESCCCC(=O)COc1cc(C(C)C)c(Cl)cc1C
InChIInChI=1S/C15H21ClO2/c1-5-6-12(17)9-18-15-8-13(10(2)3)14(16)7-11(15)4/h7-8,10H,5-6,9H2,1-4H3
InChIKeyFEOLDKIBIZKGDM-UHFFFAOYSA-N
MW268.78 g/mol
LogP4.52
Rot. Bonds6

About 1-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pentan-2-one

1-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pentan-2-one (PubChem CID 55221165) has the molecular formula C15H21ClO2 and a molecular weight of 268.78 g/mol. Its IUPAC name is 1-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pentan-2-one.

Molecular Properties

Compound Name1-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pentan-2-one
PubChem CID55221165
Molecular FormulaC15H21ClO2
Molecular Weight268.78 g/mol
Exact Mass268.12
IUPAC Name1-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pentan-2-one
SMILESCCCC(=O)COc1cc(C(C)C)c(Cl)cc1C
InChIInChI=1S/C15H21ClO2/c1-5-6-12(17)9-18-15-8-13(10(2)3)14(16)7-11(15)4/h7-8,10H,5-6,9H2,1-4H3
InChIKeyFEOLDKIBIZKGDM-UHFFFAOYSA-N
XLogP4.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.78
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)propanoic acid
CID 16772315
2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-(propylcarbamoyl)acetamide
CID 7893813
methyl 3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)propanoate
CID 43351528
1-chloro-4-(2-methoxyethoxy)-5-methyl-2-propan-2-ylbenzene
CID 112812708
2-[(4-chloro-2-methyl-5-propan-2-ylphenoxy)methyl]-N-ethylprop-2-en-1-amine
CID 103066908
2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-1-thiophen-2-ylethanone
CID 63567788
1-chloro-4-(3-chloropropoxy)-5-methyl-2-propan-2-ylbenzene
CID 43169722
2-[(4-chloro-2-methyl-5-propan-2-ylphenoxy)methyl]-N-methylprop-2-en-1-amine
CID 103066911
2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 9355643
N-(3-acetylphenyl)-2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)acetamide
CID 18276979
2-[1-[(4-chloro-2-methyl-5-propan-2-ylphenoxy)methyl]cyclopropyl]acetic acid
CID 65498695
4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)butanenitrile
CID 43351983

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pentan-2-one?
The IUPAC name of 1-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pentan-2-one (CID 55221165) is 1-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pentan-2-one.
What is the SMILES notation for 1-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pentan-2-one?
The canonical SMILES for 1-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pentan-2-one is CCCC(=O)COc1cc(C(C)C)c(Cl)cc1C.
What is the InChIKey of 1-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pentan-2-one?
The InChIKey is FEOLDKIBIZKGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClO2/c1-5-6-12(17)9-18-15-8-13(10(2)3)14(16)7-11(15)4/h7-8,10H,5-6,9H2,1-4H3.
What are the key properties of 1-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pentan-2-one?
1-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pentan-2-one has a molecular weight of 268.78 g/mol, XLogP of 4.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pentan-2-one is sourced from PubChem (CID 55221165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).