1-(4-chlorophenyl)-2-(2-methylpentoxy)propan-1-one

C15H21ClO2 — CID 103284424

IUPAC1-(4-chlorophenyl)-2-(2-methylpentoxy)propan-1-one
SMILESCCCC(C)COC(C)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H21ClO2/c1-4-5-11(2)10-18-12(3)15(17)13-6-8-14(16)9-7-13/h6-9,11-12H,4-5,10H2,1-3H3
InChIKeyVCUUDVSCJOIFEE-UHFFFAOYSA-N
MW268.78 g/mol
LogP4.36
Rot. Bonds7

About 1-(4-chlorophenyl)-2-(2-methylpentoxy)propan-1-one

1-(4-chlorophenyl)-2-(2-methylpentoxy)propan-1-one (PubChem CID 103284424) has the molecular formula C15H21ClO2 and a molecular weight of 268.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(2-methylpentoxy)propan-1-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(2-methylpentoxy)propan-1-one
PubChem CID103284424
Molecular FormulaC15H21ClO2
Molecular Weight268.78 g/mol
Exact Mass268.12
IUPAC Name1-(4-chlorophenyl)-2-(2-methylpentoxy)propan-1-one
SMILESCCCC(C)COC(C)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H21ClO2/c1-4-5-11(2)10-18-12(3)15(17)13-6-8-14(16)9-7-13/h6-9,11-12H,4-5,10H2,1-3H3
InChIKeyVCUUDVSCJOIFEE-UHFFFAOYSA-N
XLogP4.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.78
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-butoxyethoxy)-1-(4-chlorophenyl)propan-1-one
CID 43800190
1-(4-chlorophenyl)-2-hydroxypentan-1-one
CID 103453897
1-(4-fluorophenyl)-2-(2-methylpropoxy)propan-1-one
CID 43798747
4-amino-1-(4-chlorophenyl)-2-methylbutan-1-one
CID 116594848
2-(2,2-difluoroethoxy)-1-(4-ethylphenyl)propan-1-one
CID 82006429
2-(4-chlorobenzoyl)hexanoic acid
CID 67831538
2-butan-2-ylsulfanyl-1-(4-chlorophenyl)propan-1-one
CID 43412517
2-butan-2-yloxy-1-(4-chlorophenyl)ethanone
CID 60902738
1-(3,4-difluorophenyl)-2-hexoxypropan-1-one
CID 43800697
2-(2-ethylbutoxy)-1-(4-methoxyphenyl)propan-1-one
CID 114208468
2-(4-aminophenoxy)-1-(4-chlorophenyl)pentan-1-one
CID 46307731
2-ethoxy-1-(4-ethylphenyl)propan-1-one
CID 43799619

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(2-methylpentoxy)propan-1-one?
The IUPAC name of 1-(4-chlorophenyl)-2-(2-methylpentoxy)propan-1-one (CID 103284424) is 1-(4-chlorophenyl)-2-(2-methylpentoxy)propan-1-one.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(2-methylpentoxy)propan-1-one?
The canonical SMILES for 1-(4-chlorophenyl)-2-(2-methylpentoxy)propan-1-one is CCCC(C)COC(C)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(2-methylpentoxy)propan-1-one?
The InChIKey is VCUUDVSCJOIFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClO2/c1-4-5-11(2)10-18-12(3)15(17)13-6-8-14(16)9-7-13/h6-9,11-12H,4-5,10H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-2-(2-methylpentoxy)propan-1-one?
1-(4-chlorophenyl)-2-(2-methylpentoxy)propan-1-one has a molecular weight of 268.78 g/mol, XLogP of 4.36, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(2-methylpentoxy)propan-1-one is sourced from PubChem (CID 103284424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).