1-(3,4-dichlorophenyl)-5-(2-methoxyethoxy)pentan-1-one

C14H18Cl2O3 — CID 70626550

IUPAC1-(3,4-dichlorophenyl)-5-(2-methoxyethoxy)pentan-1-one
SMILESCOCCOCCCCC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H18Cl2O3/c1-18-8-9-19-7-3-2-4-14(17)11-5-6-12(15)13(16)10-11/h5-6,10H,2-4,7-9H2,1H3
InChIKeyFHJZYTWDJLZOTE-UHFFFAOYSA-N
MW305.20 g/mol
LogP4.01
Rot. Bonds9

About 1-(3,4-dichlorophenyl)-5-(2-methoxyethoxy)pentan-1-one

1-(3,4-dichlorophenyl)-5-(2-methoxyethoxy)pentan-1-one (PubChem CID 70626550) has the molecular formula C14H18Cl2O3 and a molecular weight of 305.20 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-5-(2-methoxyethoxy)pentan-1-one.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-5-(2-methoxyethoxy)pentan-1-one
PubChem CID70626550
Molecular FormulaC14H18Cl2O3
Molecular Weight305.20 g/mol
Exact Mass304.06
IUPAC Name1-(3,4-dichlorophenyl)-5-(2-methoxyethoxy)pentan-1-one
SMILESCOCCOCCCCC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H18Cl2O3/c1-18-8-9-19-7-3-2-4-14(17)11-5-6-12(15)13(16)10-11/h5-6,10H,2-4,7-9H2,1H3
InChIKeyFHJZYTWDJLZOTE-UHFFFAOYSA-N
XLogP4.01
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.20
LogP ≤ 54.01
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

1-(3,4-dichlorophenyl)-4-methoxybutan-1-one
CID 65091899
1-(4-chloro-3-fluorophenyl)-4-methoxybutan-1-one
CID 107996822
1-(3,4-dichlorophenyl)pentane-1,4-dione
CID 43608283
3-chloro-4-[2-(3-methoxypropoxy)ethoxymethyl]benzoic acid
CID 103175941
2-[[1-(3,4-dichlorophenyl)-3-(2-methoxyethoxy)propylidene]amino]oxyethanamine
CID 88810610
1-(3,4-dichlorophenyl)-4-(propan-2-ylamino)butan-1-one
CID 116558293
1-(3-chloro-4-methoxyphenyl)heptan-1-one
CID 114752126
2-(3-methoxypropoxy)ethyl 4-amino-3-chlorobenzoate
CID 103178284
[3-(3,4-dichlorophenyl)-3-oxopropyl]-dimethylazanium chloride
CID 10968004
1-(4-chloro-3-methoxyphenyl)pentan-1-one
CID 79701046
1-(3,4-difluorophenyl)-4-methoxybutan-1-one
CID 62622615
[2-[4-(4-hydroxybutoxy)butanoyl]-7-[4-(3-methoxypropoxy)butanoyl]-9H-fluoren-9-yl]methyl acetate
CID 158924255

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-5-(2-methoxyethoxy)pentan-1-one?
The IUPAC name of 1-(3,4-dichlorophenyl)-5-(2-methoxyethoxy)pentan-1-one (CID 70626550) is 1-(3,4-dichlorophenyl)-5-(2-methoxyethoxy)pentan-1-one.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-5-(2-methoxyethoxy)pentan-1-one?
The canonical SMILES for 1-(3,4-dichlorophenyl)-5-(2-methoxyethoxy)pentan-1-one is COCCOCCCCC(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-5-(2-methoxyethoxy)pentan-1-one?
The InChIKey is FHJZYTWDJLZOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2O3/c1-18-8-9-19-7-3-2-4-14(17)11-5-6-12(15)13(16)10-11/h5-6,10H,2-4,7-9H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-5-(2-methoxyethoxy)pentan-1-one?
1-(3,4-dichlorophenyl)-5-(2-methoxyethoxy)pentan-1-one has a molecular weight of 305.20 g/mol, XLogP of 4.01, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-5-(2-methoxyethoxy)pentan-1-one is sourced from PubChem (CID 70626550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).