1-chloro-4-(3-chloro-2-ethoxycyclobutyl)oxynaphthalene

C16H16Cl2O2 — CID 104675740

IUPAC1-chloro-4-(3-chloro-2-ethoxycyclobutyl)oxynaphthalene
SMILESCCOC1C(Cl)CC1Oc1ccc(Cl)c2ccccc12
InChIInChI=1S/C16H16Cl2O2/c1-2-19-16-13(18)9-15(16)20-14-8-7-12(17)10-5-3-4-6-11(10)14/h3-8,13,15-16H,2,9H2,1H3
InChIKeyIILXODHSTTVLLO-UHFFFAOYSA-N
MW311.21 g/mol
LogP4.66
Rot. Bonds4

About 1-chloro-4-(3-chloro-2-ethoxycyclobutyl)oxynaphthalene

1-chloro-4-(3-chloro-2-ethoxycyclobutyl)oxynaphthalene (PubChem CID 104675740) has the molecular formula C16H16Cl2O2 and a molecular weight of 311.21 g/mol. Its IUPAC name is 1-chloro-4-(3-chloro-2-ethoxycyclobutyl)oxynaphthalene.

Molecular Properties

Compound Name1-chloro-4-(3-chloro-2-ethoxycyclobutyl)oxynaphthalene
PubChem CID104675740
Molecular FormulaC16H16Cl2O2
Molecular Weight311.21 g/mol
Exact Mass310.05
IUPAC Name1-chloro-4-(3-chloro-2-ethoxycyclobutyl)oxynaphthalene
SMILESCCOC1C(Cl)CC1Oc1ccc(Cl)c2ccccc12
InChIInChI=1S/C16H16Cl2O2/c1-2-19-16-13(18)9-15(16)20-14-8-7-12(17)10-5-3-4-6-11(10)14/h3-8,13,15-16H,2,9H2,1H3
InChIKeyIILXODHSTTVLLO-UHFFFAOYSA-N
XLogP4.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.21
LogP ≤ 54.66
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-(4-chloronaphthalen-1-yl)oxy-2-ethoxycyclobutan-1-one
CID 104675178
1-chloro-2-[(3-chloro-2-ethoxycyclobutyl)oxymethyl]benzene
CID 104675600
2,4-dichloro-1-(3-chloro-2-propoxycyclobutyl)oxybenzene
CID 114018893
1-bromo-5-chloro-2-(3-chloro-2-ethoxycyclobutyl)oxy-4-fluorobenzene
CID 114042875
1-(3-chloro-2-ethoxycyclobutyl)oxy-4-iodobenzene
CID 104675688
1-(3-chloro-2-ethoxycyclobutyl)oxy-4,5-difluoro-2-methylbenzene
CID 114276833
1-(3-chloro-2-ethoxycyclobutyl)oxy-2,3,4,5,6-pentafluorobenzene
CID 104675732
1-(3-chloro-2-ethoxycyclobutyl)oxy-3-iodobenzene
CID 104675690
7-(3-chloro-2-ethoxycyclobutyl)oxy-2,2-dimethyl-3H-1-benzofuran
CID 104675498
5-(3-chloro-2-ethoxycyclobutyl)oxy-1,2,3-trimethoxybenzene
CID 104675915
1,3-dichloro-2-(3-chloro-2-ethoxycyclobutyl)oxy-5-nitrobenzene
CID 104675775
1-(3-chloro-2-ethoxycyclobutyl)oxy-4-(trifluoromethyl)benzene
CID 113439942

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(3-chloro-2-ethoxycyclobutyl)oxynaphthalene?
The IUPAC name of 1-chloro-4-(3-chloro-2-ethoxycyclobutyl)oxynaphthalene (CID 104675740) is 1-chloro-4-(3-chloro-2-ethoxycyclobutyl)oxynaphthalene.
What is the SMILES notation for 1-chloro-4-(3-chloro-2-ethoxycyclobutyl)oxynaphthalene?
The canonical SMILES for 1-chloro-4-(3-chloro-2-ethoxycyclobutyl)oxynaphthalene is CCOC1C(Cl)CC1Oc1ccc(Cl)c2ccccc12.
What is the InChIKey of 1-chloro-4-(3-chloro-2-ethoxycyclobutyl)oxynaphthalene?
The InChIKey is IILXODHSTTVLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2O2/c1-2-19-16-13(18)9-15(16)20-14-8-7-12(17)10-5-3-4-6-11(10)14/h3-8,13,15-16H,2,9H2,1H3.
What are the key properties of 1-chloro-4-(3-chloro-2-ethoxycyclobutyl)oxynaphthalene?
1-chloro-4-(3-chloro-2-ethoxycyclobutyl)oxynaphthalene has a molecular weight of 311.21 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(3-chloro-2-ethoxycyclobutyl)oxynaphthalene is sourced from PubChem (CID 104675740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).