6-[1-chloro-2-(3-ethoxycyclobutyl)ethyl]-1,2,3,4-tetrahydronaphthalene

C18H25ClO — CID 103165564

IUPAC6-[1-chloro-2-(3-ethoxycyclobutyl)ethyl]-1,2,3,4-tetrahydronaphthalene
SMILESCCOC1CC(CC(Cl)c2ccc3c(c2)CCCC3)C1
InChIInChI=1S/C18H25ClO/c1-2-20-17-9-13(10-17)11-18(19)16-8-7-14-5-3-4-6-15(14)12-16/h7-8,12-13,17-18H,2-6,9-11H2,1H3
InChIKeyXPGDFVZOGBBLIQ-UHFFFAOYSA-N
MW292.85 g/mol
LogP5.05
Rot. Bonds5

About 6-[1-chloro-2-(3-ethoxycyclobutyl)ethyl]-1,2,3,4-tetrahydronaphthalene

6-[1-chloro-2-(3-ethoxycyclobutyl)ethyl]-1,2,3,4-tetrahydronaphthalene (PubChem CID 103165564) has the molecular formula C18H25ClO and a molecular weight of 292.85 g/mol. Its IUPAC name is 6-[1-chloro-2-(3-ethoxycyclobutyl)ethyl]-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-[1-chloro-2-(3-ethoxycyclobutyl)ethyl]-1,2,3,4-tetrahydronaphthalene
PubChem CID103165564
Molecular FormulaC18H25ClO
Molecular Weight292.85 g/mol
Exact Mass292.16
IUPAC Name6-[1-chloro-2-(3-ethoxycyclobutyl)ethyl]-1,2,3,4-tetrahydronaphthalene
SMILESCCOC1CC(CC(Cl)c2ccc3c(c2)CCCC3)C1
InChIInChI=1S/C18H25ClO/c1-2-20-17-9-13(10-17)11-18(19)16-8-7-14-5-3-4-6-15(14)12-16/h7-8,12-13,17-18H,2-6,9-11H2,1H3
InChIKeyXPGDFVZOGBBLIQ-UHFFFAOYSA-N
XLogP5.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.85
LogP ≤ 55.05
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

5-[1-chloro-2-(3-ethoxycyclobutyl)ethyl]-1-methyl-3H-indol-2-one
CID 103165643
5-(1-chloropropyl)-2,3-dihydro-1H-indene
CID 61086419
6-[1-chloro-2-(3-ethoxycyclobutyl)ethyl]-3-methyl-1,3-benzoxazol-2-one
CID 103165856
1-[1-chloro-2-(3-ethoxycyclobutyl)ethyl]-2,4-dimethylbenzene
CID 103165599
6-[2-(2-bicyclo[2.2.1]heptanyl)-1-chloroethyl]-1,2,3,4-tetrahydronaphthalene
CID 63431178
2-(3-ethoxycyclobutyl)-1-(4-propan-2-ylphenyl)ethanol
CID 103165426
1-[2-chloro-2-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-ethylpiperazine
CID 82215291
1-(3-chloro-4-methylphenyl)-2-(3-ethoxycyclobutyl)ethanamine
CID 107562011
2-(3-ethoxycyclobutyl)-N-ethyl-1-(4-propylphenyl)ethanamine
CID 103162908
1-(3,4-difluorophenyl)-2-(3-ethoxycyclobutyl)ethanol
CID 103165377
4-[1-bromo-2-(3-ethoxycyclobutyl)ethyl]-1,2-diethylbenzene
CID 103166003
[1-(4-chlorophenyl)-2-(3-ethoxycyclobutyl)ethyl]hydrazine
CID 103170363

Frequently Asked Questions

What is the IUPAC name of 6-[1-chloro-2-(3-ethoxycyclobutyl)ethyl]-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-[1-chloro-2-(3-ethoxycyclobutyl)ethyl]-1,2,3,4-tetrahydronaphthalene (CID 103165564) is 6-[1-chloro-2-(3-ethoxycyclobutyl)ethyl]-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6-[1-chloro-2-(3-ethoxycyclobutyl)ethyl]-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-[1-chloro-2-(3-ethoxycyclobutyl)ethyl]-1,2,3,4-tetrahydronaphthalene is CCOC1CC(CC(Cl)c2ccc3c(c2)CCCC3)C1.
What is the InChIKey of 6-[1-chloro-2-(3-ethoxycyclobutyl)ethyl]-1,2,3,4-tetrahydronaphthalene?
The InChIKey is XPGDFVZOGBBLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClO/c1-2-20-17-9-13(10-17)11-18(19)16-8-7-14-5-3-4-6-15(14)12-16/h7-8,12-13,17-18H,2-6,9-11H2,1H3.
What are the key properties of 6-[1-chloro-2-(3-ethoxycyclobutyl)ethyl]-1,2,3,4-tetrahydronaphthalene?
6-[1-chloro-2-(3-ethoxycyclobutyl)ethyl]-1,2,3,4-tetrahydronaphthalene has a molecular weight of 292.85 g/mol, XLogP of 5.05, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-chloro-2-(3-ethoxycyclobutyl)ethyl]-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 103165564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).