1-[1-chloro-2-(3-ethoxycyclobutyl)ethyl]-2,4-dimethylbenzene

C16H23ClO — CID 103165599

IUPAC1-[1-chloro-2-(3-ethoxycyclobutyl)ethyl]-2,4-dimethylbenzene
SMILESCCOC1CC(CC(Cl)c2ccc(C)cc2C)C1
InChIInChI=1S/C16H23ClO/c1-4-18-14-8-13(9-14)10-16(17)15-6-5-11(2)7-12(15)3/h5-7,13-14,16H,4,8-10H2,1-3H3
InChIKeyLWOXNSGOPKSFOG-UHFFFAOYSA-N
MW266.81 g/mol
LogP4.79
Rot. Bonds5

About 1-[1-chloro-2-(3-ethoxycyclobutyl)ethyl]-2,4-dimethylbenzene

1-[1-chloro-2-(3-ethoxycyclobutyl)ethyl]-2,4-dimethylbenzene (PubChem CID 103165599) has the molecular formula C16H23ClO and a molecular weight of 266.81 g/mol. Its IUPAC name is 1-[1-chloro-2-(3-ethoxycyclobutyl)ethyl]-2,4-dimethylbenzene.

Molecular Properties

Compound Name1-[1-chloro-2-(3-ethoxycyclobutyl)ethyl]-2,4-dimethylbenzene
PubChem CID103165599
Molecular FormulaC16H23ClO
Molecular Weight266.81 g/mol
Exact Mass266.14
IUPAC Name1-[1-chloro-2-(3-ethoxycyclobutyl)ethyl]-2,4-dimethylbenzene
SMILESCCOC1CC(CC(Cl)c2ccc(C)cc2C)C1
InChIInChI=1S/C16H23ClO/c1-4-18-14-8-13(9-14)10-16(17)15-6-5-11(2)7-12(15)3/h5-7,13-14,16H,4,8-10H2,1-3H3
InChIKeyLWOXNSGOPKSFOG-UHFFFAOYSA-N
XLogP4.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.81
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(1-chloro-2-cyclopentylethyl)-2,4-dimethylbenzene
CID 63429933
2-[1-chloro-2-(3-ethoxycyclobutyl)ethyl]-3,5-dimethylthiophene
CID 103165987
2-(3-ethoxycyclobutyl)-N-ethyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 103162901
6-[1-chloro-2-(3-ethoxycyclobutyl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 103165564
1-[2-chloro-2-(2,4-dimethylphenyl)ethyl]adamantane
CID 79987672
2-(1-chloro-2-cyclopropylethyl)-1,4-dimethylbenzene
CID 63433985
6-chloro-5-[1-chloro-2-(3-ethoxycyclobutyl)ethyl]-1,3-dihydroindol-2-one
CID 103165684
1-(1-chloropentyl)-2,4-dimethylbenzene
CID 63430265
1-(2-chloro-4-fluoro-5-methylphenyl)-2-(3-ethoxycyclobutyl)ethanol
CID 103165503
1-(3-ethoxycyclobutyl)-N-methyl-3-(4-methylphenyl)propan-2-amine
CID 103164153
2-(3-ethoxycyclobutyl)-N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)ethanamine
CID 106883381
2-(1-chloro-2-cyclobutylethyl)-1-methoxy-4-methylbenzene
CID 103165692

Frequently Asked Questions

What is the IUPAC name of 1-[1-chloro-2-(3-ethoxycyclobutyl)ethyl]-2,4-dimethylbenzene?
The IUPAC name of 1-[1-chloro-2-(3-ethoxycyclobutyl)ethyl]-2,4-dimethylbenzene (CID 103165599) is 1-[1-chloro-2-(3-ethoxycyclobutyl)ethyl]-2,4-dimethylbenzene.
What is the SMILES notation for 1-[1-chloro-2-(3-ethoxycyclobutyl)ethyl]-2,4-dimethylbenzene?
The canonical SMILES for 1-[1-chloro-2-(3-ethoxycyclobutyl)ethyl]-2,4-dimethylbenzene is CCOC1CC(CC(Cl)c2ccc(C)cc2C)C1.
What is the InChIKey of 1-[1-chloro-2-(3-ethoxycyclobutyl)ethyl]-2,4-dimethylbenzene?
The InChIKey is LWOXNSGOPKSFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClO/c1-4-18-14-8-13(9-14)10-16(17)15-6-5-11(2)7-12(15)3/h5-7,13-14,16H,4,8-10H2,1-3H3.
What are the key properties of 1-[1-chloro-2-(3-ethoxycyclobutyl)ethyl]-2,4-dimethylbenzene?
1-[1-chloro-2-(3-ethoxycyclobutyl)ethyl]-2,4-dimethylbenzene has a molecular weight of 266.81 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-chloro-2-(3-ethoxycyclobutyl)ethyl]-2,4-dimethylbenzene is sourced from PubChem (CID 103165599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).