1-(3-chloro-2-ethoxycyclobutyl)oxy-4-(2-methylbutan-2-yl)benzene

C17H25ClO2 — CID 104675516

IUPAC1-(3-chloro-2-ethoxycyclobutyl)oxy-4-(2-methylbutan-2-yl)benzene
SMILESCCOC1C(Cl)CC1Oc1ccc(C(C)(C)CC)cc1
InChIInChI=1S/C17H25ClO2/c1-5-17(3,4)12-7-9-13(10-8-12)20-15-11-14(18)16(15)19-6-2/h7-10,14-16H,5-6,11H2,1-4H3
InChIKeyVJJJQKAAUHYUHH-UHFFFAOYSA-N
MW296.84 g/mol
LogP4.54
Rot. Bonds6

About 1-(3-chloro-2-ethoxycyclobutyl)oxy-4-(2-methylbutan-2-yl)benzene

1-(3-chloro-2-ethoxycyclobutyl)oxy-4-(2-methylbutan-2-yl)benzene (PubChem CID 104675516) has the molecular formula C17H25ClO2 and a molecular weight of 296.84 g/mol. Its IUPAC name is 1-(3-chloro-2-ethoxycyclobutyl)oxy-4-(2-methylbutan-2-yl)benzene.

Molecular Properties

Compound Name1-(3-chloro-2-ethoxycyclobutyl)oxy-4-(2-methylbutan-2-yl)benzene
PubChem CID104675516
Molecular FormulaC17H25ClO2
Molecular Weight296.84 g/mol
Exact Mass296.15
IUPAC Name1-(3-chloro-2-ethoxycyclobutyl)oxy-4-(2-methylbutan-2-yl)benzene
SMILESCCOC1C(Cl)CC1Oc1ccc(C(C)(C)CC)cc1
InChIInChI=1S/C17H25ClO2/c1-5-17(3,4)12-7-9-13(10-8-12)20-15-11-14(18)16(15)19-6-2/h7-10,14-16H,5-6,11H2,1-4H3
InChIKeyVJJJQKAAUHYUHH-UHFFFAOYSA-N
XLogP4.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 54.54
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

1-(3-chloro-2-ethoxycyclobutyl)oxy-4-(trifluoromethyl)benzene
CID 113439942
2-ethoxy-3-[4-(2-methylbutan-2-yl)phenoxy]cyclobutan-1-ol
CID 104675287
1-(3-chloro-2-ethoxycyclobutyl)oxy-4-iodobenzene
CID 104675688
1-(3-chloro-2-ethoxycyclobutyl)oxy-3-iodobenzene
CID 104675690
2-[4-(2-methylbutan-2-yl)phenoxy]cyclopentan-1-amine
CID 43100661
1-(3-chloro-2-propoxycyclobutyl)oxy-4-methoxybenzene
CID 114018894
2-bromo-4-(3-chloro-2-ethoxycyclobutyl)oxy-1-(trifluoromethoxy)benzene
CID 102715069
5-(3-chloro-2-ethoxycyclobutyl)oxy-1,2,3-trimethoxybenzene
CID 104675915
[2-[4-(2-methylbutan-2-yl)phenoxy]cyclohexyl]methanamine
CID 43293934
1-(3-chloro-2-ethoxycyclobutyl)oxy-2,3,4,5,6-pentafluorobenzene
CID 104675732
1-(3-bromo-2-ethoxycyclobutyl)oxy-4-iodobenzene
CID 104675687
1-chloro-4-(3-chloro-2-ethoxycyclobutyl)oxynaphthalene
CID 104675740

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-ethoxycyclobutyl)oxy-4-(2-methylbutan-2-yl)benzene?
The IUPAC name of 1-(3-chloro-2-ethoxycyclobutyl)oxy-4-(2-methylbutan-2-yl)benzene (CID 104675516) is 1-(3-chloro-2-ethoxycyclobutyl)oxy-4-(2-methylbutan-2-yl)benzene.
What is the SMILES notation for 1-(3-chloro-2-ethoxycyclobutyl)oxy-4-(2-methylbutan-2-yl)benzene?
The canonical SMILES for 1-(3-chloro-2-ethoxycyclobutyl)oxy-4-(2-methylbutan-2-yl)benzene is CCOC1C(Cl)CC1Oc1ccc(C(C)(C)CC)cc1.
What is the InChIKey of 1-(3-chloro-2-ethoxycyclobutyl)oxy-4-(2-methylbutan-2-yl)benzene?
The InChIKey is VJJJQKAAUHYUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClO2/c1-5-17(3,4)12-7-9-13(10-8-12)20-15-11-14(18)16(15)19-6-2/h7-10,14-16H,5-6,11H2,1-4H3.
What are the key properties of 1-(3-chloro-2-ethoxycyclobutyl)oxy-4-(2-methylbutan-2-yl)benzene?
1-(3-chloro-2-ethoxycyclobutyl)oxy-4-(2-methylbutan-2-yl)benzene has a molecular weight of 296.84 g/mol, XLogP of 4.54, 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-ethoxycyclobutyl)oxy-4-(2-methylbutan-2-yl)benzene is sourced from PubChem (CID 104675516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).