1-(4-chlorophenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanone

C14H19ClO3 — CID 106448325

IUPAC1-(4-chlorophenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanone
SMILESCC(C)COCCOCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H19ClO3/c1-11(2)9-17-7-8-18-10-14(16)12-3-5-13(15)6-4-12/h3-6,11H,7-10H2,1-2H3
InChIKeyPQNZTUGVXBSCMC-UHFFFAOYSA-N
MW270.76 g/mol
LogP3.21
Rot. Bonds8

About 1-(4-chlorophenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanone

1-(4-chlorophenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanone (PubChem CID 106448325) has the molecular formula C14H19ClO3 and a molecular weight of 270.76 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanone
PubChem CID106448325
Molecular FormulaC14H19ClO3
Molecular Weight270.76 g/mol
Exact Mass270.10
IUPAC Name1-(4-chlorophenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanone
SMILESCC(C)COCCOCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H19ClO3/c1-11(2)9-17-7-8-18-10-14(16)12-3-5-13(15)6-4-12/h3-6,11H,7-10H2,1-2H3
InChIKeyPQNZTUGVXBSCMC-UHFFFAOYSA-N
XLogP3.21
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-butoxy-1-(4-chlorophenyl)ethanone
CID 43801198
1-(4-iodophenyl)-2-(2-methylpropoxy)ethanone
CID 43798719
2-(3-methylbutoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 43798558
2-[2-(4-chlorophenyl)-2-oxoethoxy]acetic acid
CID 61328747
1-(4-chlorophenyl)-2-(2-phenylethoxy)ethanone
CID 43800825
1-(4-chlorophenyl)-2-[(4-chlorophenyl)methoxy]ethanone
CID 65126049
2-butan-2-yloxy-1-(4-chlorophenyl)ethanone
CID 60902738
1-(4-fluorophenyl)-3-(2-methylpropoxy)propan-1-one
CID 43793380
2-butoxy-1-(4-propan-2-ylphenyl)ethanone
CID 43801215
2-(2-methylpropoxy)ethyl 3-chlorobenzoate
CID 71145273
1-(4-fluorophenyl)-4-(2-methylpropoxy)butan-1-one
CID 43793381
2-(3,3-dimethylbutoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 66234093

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanone (CID 106448325) is 1-(4-chlorophenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanone is CC(C)COCCOCC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanone?
The InChIKey is PQNZTUGVXBSCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO3/c1-11(2)9-17-7-8-18-10-14(16)12-3-5-13(15)6-4-12/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanone?
1-(4-chlorophenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanone has a molecular weight of 270.76 g/mol, XLogP of 3.21, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanone is sourced from PubChem (CID 106448325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).