1-chloro-2-[(3-chloro-2-ethoxycyclobutyl)oxymethyl]benzene

C13H16Cl2O2 — CID 104675600

IUPAC1-chloro-2-[(3-chloro-2-ethoxycyclobutyl)oxymethyl]benzene
SMILESCCOC1C(Cl)CC1OCc1ccccc1Cl
InChIInChI=1S/C13H16Cl2O2/c1-2-16-13-11(15)7-12(13)17-8-9-5-3-4-6-10(9)14/h3-6,11-13H,2,7-8H2,1H3
InChIKeyHLEYZVSCPUGKQW-UHFFFAOYSA-N
MW275.17 g/mol
LogP3.64
Rot. Bonds5

About 1-chloro-2-[(3-chloro-2-ethoxycyclobutyl)oxymethyl]benzene

1-chloro-2-[(3-chloro-2-ethoxycyclobutyl)oxymethyl]benzene (PubChem CID 104675600) has the molecular formula C13H16Cl2O2 and a molecular weight of 275.17 g/mol. Its IUPAC name is 1-chloro-2-[(3-chloro-2-ethoxycyclobutyl)oxymethyl]benzene.

Molecular Properties

Compound Name1-chloro-2-[(3-chloro-2-ethoxycyclobutyl)oxymethyl]benzene
PubChem CID104675600
Molecular FormulaC13H16Cl2O2
Molecular Weight275.17 g/mol
Exact Mass274.05
IUPAC Name1-chloro-2-[(3-chloro-2-ethoxycyclobutyl)oxymethyl]benzene
SMILESCCOC1C(Cl)CC1OCc1ccccc1Cl
InChIInChI=1S/C13H16Cl2O2/c1-2-16-13-11(15)7-12(13)17-8-9-5-3-4-6-10(9)14/h3-6,11-13H,2,7-8H2,1H3
InChIKeyHLEYZVSCPUGKQW-UHFFFAOYSA-N
XLogP3.64
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 ≤ 53.64
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

3-[(2-chlorophenyl)methoxy]-2-methoxycyclobutan-1-amine
CID 104674447
1-bromo-4-[(3-chloro-2-ethoxycyclobutyl)oxymethyl]benzene
CID 104675895
1-chloro-4-(3-chloro-2-ethoxycyclobutyl)oxynaphthalene
CID 104675740
3-[(2-bromophenyl)methoxy]-2-ethoxy-N-methylcyclobutan-1-amine
CID 104676666
2-[(2-chlorophenyl)methoxy]-4-ethylcyclohexane-1-carbonitrile
CID 43292468
1-(3-chloro-2-ethoxycyclobutyl)oxy-4-iodobenzene
CID 104675688
4-[(2-chlorophenyl)methoxy]pyrrolidin-3-ol
CID 63701872
3-bromo-4-[(2-chlorophenyl)methoxy]thiolane 1,1-dioxide
CID 114772829
1-chloro-2-ethoxy-3-(2-methoxyethoxy)cyclobutane
CID 104675611
2-[(2-chlorophenyl)methoxy]cyclopentane-1-carbonitrile
CID 43292471
(3aS,6aR)-5-[(2-chlorophenyl)methoxy]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
CID 138562996
1-(3-chloro-2-ethoxycyclobutyl)oxy-4-(2-methylbutan-2-yl)benzene
CID 104675516

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[(3-chloro-2-ethoxycyclobutyl)oxymethyl]benzene?
The IUPAC name of 1-chloro-2-[(3-chloro-2-ethoxycyclobutyl)oxymethyl]benzene (CID 104675600) is 1-chloro-2-[(3-chloro-2-ethoxycyclobutyl)oxymethyl]benzene.
What is the SMILES notation for 1-chloro-2-[(3-chloro-2-ethoxycyclobutyl)oxymethyl]benzene?
The canonical SMILES for 1-chloro-2-[(3-chloro-2-ethoxycyclobutyl)oxymethyl]benzene is CCOC1C(Cl)CC1OCc1ccccc1Cl.
What is the InChIKey of 1-chloro-2-[(3-chloro-2-ethoxycyclobutyl)oxymethyl]benzene?
The InChIKey is HLEYZVSCPUGKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2O2/c1-2-16-13-11(15)7-12(13)17-8-9-5-3-4-6-10(9)14/h3-6,11-13H,2,7-8H2,1H3.
What are the key properties of 1-chloro-2-[(3-chloro-2-ethoxycyclobutyl)oxymethyl]benzene?
1-chloro-2-[(3-chloro-2-ethoxycyclobutyl)oxymethyl]benzene has a molecular weight of 275.17 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[(3-chloro-2-ethoxycyclobutyl)oxymethyl]benzene is sourced from PubChem (CID 104675600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).