1-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-3-(methoxymethyl)benzene

C15H21ClO2 — CID 66345395

IUPAC1-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-3-(methoxymethyl)benzene
SMILESCCC1(C)C(Cl)CC1Oc1cccc(COC)c1
InChIInChI=1S/C15H21ClO2/c1-4-15(2)13(16)9-14(15)18-12-7-5-6-11(8-12)10-17-3/h5-8,13-14H,4,9-10H2,1-3H3
InChIKeyQXGBKZOUFUBDPH-UHFFFAOYSA-N
MW268.78 g/mol
LogP4.01
Rot. Bonds5

About 1-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-3-(methoxymethyl)benzene

1-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-3-(methoxymethyl)benzene (PubChem CID 66345395) has the molecular formula C15H21ClO2 and a molecular weight of 268.78 g/mol. Its IUPAC name is 1-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-3-(methoxymethyl)benzene.

Molecular Properties

Compound Name1-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-3-(methoxymethyl)benzene
PubChem CID66345395
Molecular FormulaC15H21ClO2
Molecular Weight268.78 g/mol
Exact Mass268.12
IUPAC Name1-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-3-(methoxymethyl)benzene
SMILESCCC1(C)C(Cl)CC1Oc1cccc(COC)c1
InChIInChI=1S/C15H21ClO2/c1-4-15(2)13(16)9-14(15)18-12-7-5-6-11(8-12)10-17-3/h5-8,13-14H,4,9-10H2,1-3H3
InChIKeyQXGBKZOUFUBDPH-UHFFFAOYSA-N
XLogP4.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.78
LogP ≤ 54.01
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-chloro-1-[3-(methoxymethyl)phenoxy]spiro[3.6]decane
CID 66345392
3-[3-(methoxymethyl)phenoxy]-2,2-dimethylcyclobutan-1-ol
CID 66343338
1-chloro-4-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-2-methylbenzene
CID 66345737
1-(3-chloro-2-methoxycyclobutyl)oxy-3-(methoxymethyl)benzene
CID 104674108
N,2-diethyl-3-(3-ethylphenoxy)-2-methylcyclobutan-1-amine
CID 66358001
2-chloro-4-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-1-nitrobenzene
CID 66343707
1-[3-(methoxymethyl)phenoxy]spiro[3.5]nonan-3-one
CID 66369109
1-chloro-3-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-2-fluorobenzene
CID 116691092
3-(3-chloro-2-ethyl-2-methylcyclobutyl)oxypropylbenzene
CID 66344311
1-(3-chloro-2,2-diethylcyclobutyl)oxy-3-methylsulfonylbenzene
CID 66345990
2-bromo-1-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-4-methylbenzene
CID 66345947
2-ethyl-3-(3-fluorophenoxy)-N,2-dimethylcyclobutan-1-amine
CID 66357331

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-3-(methoxymethyl)benzene?
The IUPAC name of 1-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-3-(methoxymethyl)benzene (CID 66345395) is 1-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-3-(methoxymethyl)benzene.
What is the SMILES notation for 1-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-3-(methoxymethyl)benzene?
The canonical SMILES for 1-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-3-(methoxymethyl)benzene is CCC1(C)C(Cl)CC1Oc1cccc(COC)c1.
What is the InChIKey of 1-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-3-(methoxymethyl)benzene?
The InChIKey is QXGBKZOUFUBDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClO2/c1-4-15(2)13(16)9-14(15)18-12-7-5-6-11(8-12)10-17-3/h5-8,13-14H,4,9-10H2,1-3H3.
What are the key properties of 1-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-3-(methoxymethyl)benzene?
1-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-3-(methoxymethyl)benzene has a molecular weight of 268.78 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-3-(methoxymethyl)benzene is sourced from PubChem (CID 66345395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).