1-chloro-3-(3-chloro-2-propoxycyclobutyl)oxybenzene

C13H16Cl2O2 — CID 107942730

IUPAC1-chloro-3-(3-chloro-2-propoxycyclobutyl)oxybenzene
SMILESCCCOC1C(Cl)CC1Oc1cccc(Cl)c1
InChIInChI=1S/C13H16Cl2O2/c1-2-6-16-13-11(15)8-12(13)17-10-5-3-4-9(14)7-10/h3-5,7,11-13H,2,6,8H2,1H3
InChIKeyQEWGXRCQNHHRLT-UHFFFAOYSA-N
MW275.17 g/mol
LogP3.89
Rot. Bonds5

About 1-chloro-3-(3-chloro-2-propoxycyclobutyl)oxybenzene

1-chloro-3-(3-chloro-2-propoxycyclobutyl)oxybenzene (PubChem CID 107942730) has the molecular formula C13H16Cl2O2 and a molecular weight of 275.17 g/mol. Its IUPAC name is 1-chloro-3-(3-chloro-2-propoxycyclobutyl)oxybenzene.

Molecular Properties

Compound Name1-chloro-3-(3-chloro-2-propoxycyclobutyl)oxybenzene
PubChem CID107942730
Molecular FormulaC13H16Cl2O2
Molecular Weight275.17 g/mol
Exact Mass274.05
IUPAC Name1-chloro-3-(3-chloro-2-propoxycyclobutyl)oxybenzene
SMILESCCCOC1C(Cl)CC1Oc1cccc(Cl)c1
InChIInChI=1S/C13H16Cl2O2/c1-2-6-16-13-11(15)8-12(13)17-10-5-3-4-9(14)7-10/h3-5,7,11-13H,2,6,8H2,1H3
InChIKeyQEWGXRCQNHHRLT-UHFFFAOYSA-N
XLogP3.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.17
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-chloro-3-(3-chloro-2-propoxycyclobutyl)oxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chloro-2-propoxycyclobutyl)oxy-3-ethoxybenzene
CID 107942973
2,4-dichloro-1-(3-chloro-2-propoxycyclobutyl)oxybenzene
CID 114018893
1-(3-chloro-2-propoxycyclobutyl)oxy-4-methoxybenzene
CID 114018894
1-(3-chloro-2-ethoxycyclobutyl)oxy-3-iodobenzene
CID 104675690
3-(3-chlorophenoxy)-2-methoxycyclobutan-1-amine
CID 104674327
3-(3-ethoxyphenoxy)-2-propoxycyclobutan-1-amine
CID 107943638
2-(3-chloro-2-propoxycyclobutyl)oxy-1,3,5-trimethylbenzene
CID 107942940
3-(3,5-dichlorophenoxy)-2-propoxycyclobutan-1-ol
CID 107942554
4-bromo-1-(3-chloro-2-propoxycyclobutyl)oxy-2-propan-2-ylbenzene
CID 107943053
3-(3-chloro-2-propoxycyclobutyl)oxy-2-methylpyridine
CID 107943039
3-(3-chloro-4-fluorophenoxy)-2-propoxycyclobutan-1-amine
CID 107943680
N-methyl-3-(3-methylphenoxy)-2-propoxycyclobutan-1-amine
CID 107943241

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(3-chloro-2-propoxycyclobutyl)oxybenzene?
The IUPAC name of 1-chloro-3-(3-chloro-2-propoxycyclobutyl)oxybenzene (CID 107942730) is 1-chloro-3-(3-chloro-2-propoxycyclobutyl)oxybenzene.
What is the SMILES notation for 1-chloro-3-(3-chloro-2-propoxycyclobutyl)oxybenzene?
The canonical SMILES for 1-chloro-3-(3-chloro-2-propoxycyclobutyl)oxybenzene is CCCOC1C(Cl)CC1Oc1cccc(Cl)c1.
What is the InChIKey of 1-chloro-3-(3-chloro-2-propoxycyclobutyl)oxybenzene?
The InChIKey is QEWGXRCQNHHRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2O2/c1-2-6-16-13-11(15)8-12(13)17-10-5-3-4-9(14)7-10/h3-5,7,11-13H,2,6,8H2,1H3.
What are the key properties of 1-chloro-3-(3-chloro-2-propoxycyclobutyl)oxybenzene?
1-chloro-3-(3-chloro-2-propoxycyclobutyl)oxybenzene has a molecular weight of 275.17 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(3-chloro-2-propoxycyclobutyl)oxybenzene is sourced from PubChem (CID 107942730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).