2-(cyclopentylmethoxy)-1-(3,4-dichlorophenyl)ethanone

C14H16Cl2O2 — CID 66322656

IUPAC2-(cyclopentylmethoxy)-1-(3,4-dichlorophenyl)ethanone
SMILESO=C(COCC1CCCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H16Cl2O2/c15-12-6-5-11(7-13(12)16)14(17)9-18-8-10-3-1-2-4-10/h5-7,10H,1-4,8-9H2
InChIKeyFKJIIRJYFCPOJQ-UHFFFAOYSA-N
MW287.19 g/mol
LogP4.38
Rot. Bonds5

About 2-(cyclopentylmethoxy)-1-(3,4-dichlorophenyl)ethanone

2-(cyclopentylmethoxy)-1-(3,4-dichlorophenyl)ethanone (PubChem CID 66322656) has the molecular formula C14H16Cl2O2 and a molecular weight of 287.19 g/mol. Its IUPAC name is 2-(cyclopentylmethoxy)-1-(3,4-dichlorophenyl)ethanone.

Molecular Properties

Compound Name2-(cyclopentylmethoxy)-1-(3,4-dichlorophenyl)ethanone
PubChem CID66322656
Molecular FormulaC14H16Cl2O2
Molecular Weight287.19 g/mol
Exact Mass286.05
IUPAC Name2-(cyclopentylmethoxy)-1-(3,4-dichlorophenyl)ethanone
SMILESO=C(COCC1CCCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H16Cl2O2/c15-12-6-5-11(7-13(12)16)14(17)9-18-8-10-3-1-2-4-10/h5-7,10H,1-4,8-9H2
InChIKeyFKJIIRJYFCPOJQ-UHFFFAOYSA-N
XLogP4.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dichlorophenyl)-2-(oxolan-2-ylmethoxy)ethanone
CID 43798272
2-cyclohexyloxy-1-(3,4-dichlorophenyl)ethanone
CID 43799312
1-(2-chlorophenyl)-2-(cyclopentylmethoxy)ethanone
CID 66322654
2-(cyclohexylmethoxy)-1-(4-fluorophenyl)ethanone
CID 62383925
2-(cyclohexylmethoxy)-1-(4-methoxyphenyl)ethanone
CID 62381534
2-(cyclopentylmethylsulfanyl)-1-(3,4-dichlorophenyl)ethanone
CID 63407663
1-(3,4-dichlorophenyl)-2-phenylmethoxyethanone
CID 55031191
1-(3,4-dichlorophenyl)-2-[3-(methylamino)cycloheptyl]ethanone
CID 143503238
N-(4-amino-2-chlorophenyl)-2-(cyclopentylmethoxy)acetamide
CID 66324082
cyclohexyl-(3,4-dichlorophenyl)methanone
CID 11601310
cycloheptyl-(3,4-dichlorophenyl)methanone
CID 63490974
1-(3-chlorophenyl)-2-(oxolan-3-ylmethoxy)ethanone
CID 54976813

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethoxy)-1-(3,4-dichlorophenyl)ethanone?
The IUPAC name of 2-(cyclopentylmethoxy)-1-(3,4-dichlorophenyl)ethanone (CID 66322656) is 2-(cyclopentylmethoxy)-1-(3,4-dichlorophenyl)ethanone.
What is the SMILES notation for 2-(cyclopentylmethoxy)-1-(3,4-dichlorophenyl)ethanone?
The canonical SMILES for 2-(cyclopentylmethoxy)-1-(3,4-dichlorophenyl)ethanone is O=C(COCC1CCCC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(cyclopentylmethoxy)-1-(3,4-dichlorophenyl)ethanone?
The InChIKey is FKJIIRJYFCPOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2O2/c15-12-6-5-11(7-13(12)16)14(17)9-18-8-10-3-1-2-4-10/h5-7,10H,1-4,8-9H2.
What are the key properties of 2-(cyclopentylmethoxy)-1-(3,4-dichlorophenyl)ethanone?
2-(cyclopentylmethoxy)-1-(3,4-dichlorophenyl)ethanone has a molecular weight of 287.19 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethoxy)-1-(3,4-dichlorophenyl)ethanone is sourced from PubChem (CID 66322656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).