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

C15H21ClO2 — CID 114018902

IUPAC1-(3-chloro-2-propoxycyclobutyl)oxyethylbenzene
SMILESCCCOC1C(Cl)CC1OC(C)c1ccccc1
InChIInChI=1S/C15H21ClO2/c1-3-9-17-15-13(16)10-14(15)18-11(2)12-7-5-4-6-8-12/h4-8,11,13-15H,3,9-10H2,1-2H3
InChIKeyQPIZSLFRKGCPMZ-UHFFFAOYSA-N
MW268.78 g/mol
LogP3.94
Rot. Bonds6

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

1-(3-chloro-2-propoxycyclobutyl)oxyethylbenzene (PubChem CID 114018902) has the molecular formula C15H21ClO2 and a molecular weight of 268.78 g/mol. Its IUPAC name is 1-(3-chloro-2-propoxycyclobutyl)oxyethylbenzene.

Molecular Properties

Compound Name1-(3-chloro-2-propoxycyclobutyl)oxyethylbenzene
PubChem CID114018902
Molecular FormulaC15H21ClO2
Molecular Weight268.78 g/mol
Exact Mass268.12
IUPAC Name1-(3-chloro-2-propoxycyclobutyl)oxyethylbenzene
SMILESCCCOC1C(Cl)CC1OC(C)c1ccccc1
InChIInChI=1S/C15H21ClO2/c1-3-9-17-15-13(16)10-14(15)18-11(2)12-7-5-4-6-8-12/h4-8,11,13-15H,3,9-10H2,1-2H3
InChIKeyQPIZSLFRKGCPMZ-UHFFFAOYSA-N
XLogP3.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.78
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chloro-2-propoxycyclobutyl)oxynaphthalene
CID 107942743
1-(3-chloro-2-propoxycyclobutyl)oxy-4-methoxybenzene
CID 114018894
1-chloro-3-pentoxy-2-propoxycyclobutane
CID 107942901
1-chloro-3-(3-chloro-2-propoxycyclobutyl)oxybenzene
CID 107942730
4-bromo-1-(3-chloro-2-propoxycyclobutyl)oxy-2-propan-2-ylbenzene
CID 107943053
1-(3-chloro-2-propoxycyclobutyl)oxy-3-ethoxybenzene
CID 107942973
2-(1-phenylethoxy)-N-propylcyclopentan-1-amine
CID 55036153
1-chloro-3-(cyclopropylmethoxy)-2-propoxycyclobutane
CID 107942832
1-chloro-3-octoxy-2-propoxycyclobutane
CID 107942863
1-chloro-3-(2-ethylhexoxy)-2-propoxycyclobutane
CID 114018914
1-bromo-2-(1-phenylethoxy)cycloheptane
CID 55193248
1-chloro-3-(2-cyclopropylethoxy)-2-propoxycyclobutane
CID 106207219

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-propoxycyclobutyl)oxyethylbenzene?
The IUPAC name of 1-(3-chloro-2-propoxycyclobutyl)oxyethylbenzene (CID 114018902) is 1-(3-chloro-2-propoxycyclobutyl)oxyethylbenzene.
What is the SMILES notation for 1-(3-chloro-2-propoxycyclobutyl)oxyethylbenzene?
The canonical SMILES for 1-(3-chloro-2-propoxycyclobutyl)oxyethylbenzene is CCCOC1C(Cl)CC1OC(C)c1ccccc1.
What is the InChIKey of 1-(3-chloro-2-propoxycyclobutyl)oxyethylbenzene?
The InChIKey is QPIZSLFRKGCPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClO2/c1-3-9-17-15-13(16)10-14(15)18-11(2)12-7-5-4-6-8-12/h4-8,11,13-15H,3,9-10H2,1-2H3.
What are the key properties of 1-(3-chloro-2-propoxycyclobutyl)oxyethylbenzene?
1-(3-chloro-2-propoxycyclobutyl)oxyethylbenzene has a molecular weight of 268.78 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-propoxycyclobutyl)oxyethylbenzene is sourced from PubChem (CID 114018902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).