4-[1-chloro-2-(1-methoxycyclobutyl)ethyl]-1,2-dimethoxybenzene

C15H21ClO3 — CID 103557644

IUPAC4-[1-chloro-2-(1-methoxycyclobutyl)ethyl]-1,2-dimethoxybenzene
SMILESCOc1ccc(C(Cl)CC2(OC)CCC2)cc1OC
InChIInChI=1S/C15H21ClO3/c1-17-13-6-5-11(9-14(13)18-2)12(16)10-15(19-3)7-4-8-15/h5-6,9,12H,4,7-8,10H2,1-3H3
InChIKeyWWDLDXVWIJUBKQ-UHFFFAOYSA-N
MW284.78 g/mol
LogP3.94
Rot. Bonds6

About 4-[1-chloro-2-(1-methoxycyclobutyl)ethyl]-1,2-dimethoxybenzene

4-[1-chloro-2-(1-methoxycyclobutyl)ethyl]-1,2-dimethoxybenzene (PubChem CID 103557644) has the molecular formula C15H21ClO3 and a molecular weight of 284.78 g/mol. Its IUPAC name is 4-[1-chloro-2-(1-methoxycyclobutyl)ethyl]-1,2-dimethoxybenzene.

Molecular Properties

Compound Name4-[1-chloro-2-(1-methoxycyclobutyl)ethyl]-1,2-dimethoxybenzene
PubChem CID103557644
Molecular FormulaC15H21ClO3
Molecular Weight284.78 g/mol
Exact Mass284.12
IUPAC Name4-[1-chloro-2-(1-methoxycyclobutyl)ethyl]-1,2-dimethoxybenzene
SMILESCOc1ccc(C(Cl)CC2(OC)CCC2)cc1OC
InChIInChI=1S/C15H21ClO3/c1-17-13-6-5-11(9-14(13)18-2)12(16)10-15(19-3)7-4-8-15/h5-6,9,12H,4,7-8,10H2,1-3H3
InChIKeyWWDLDXVWIJUBKQ-UHFFFAOYSA-N
XLogP3.94
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.78
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[1-chloro-2-(1-methoxycyclobutyl)ethyl]-1-fluoro-2-methylbenzene
CID 103557830
1-(3-chloro-4-methoxyphenyl)-2-(1-methoxycyclobutyl)ethanamine
CID 103556124
1-(3-chloro-4-methoxyphenyl)-2-(1-methoxycyclobutyl)-N-methylethanamine
CID 103556153
1-(4-chloro-3-methoxyphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine
CID 103559564
1-bromo-5-[1-chloro-2-(1-methoxycyclobutyl)ethyl]-2-fluoro-4-methoxybenzene
CID 103557900
2-chloro-2-(3,4-dimethoxyphenyl)-N,N-dimethylethanamine
CID 82214956
1-(3-bromo-4-methoxyphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine
CID 103556204
N-ethyl-1-(3-fluoro-4-methoxyphenyl)-2-(1-methoxycyclobutyl)ethanamine
CID 103556253
1-bromo-4-[1-bromo-2-(1-methoxycyclobutyl)ethyl]benzene
CID 103557717
1-[1-bromo-2-(1-methoxycyclobutyl)ethyl]-3-chloro-2,4-dimethoxybenzene
CID 103557885
1-(4-chlorophenyl)-2-(1-methoxycyclobutyl)ethanol
CID 103557502
2-[2-chloro-2-(3,4-dimethoxyphenyl)ethyl]thiophene
CID 55149169

Frequently Asked Questions

What is the IUPAC name of 4-[1-chloro-2-(1-methoxycyclobutyl)ethyl]-1,2-dimethoxybenzene?
The IUPAC name of 4-[1-chloro-2-(1-methoxycyclobutyl)ethyl]-1,2-dimethoxybenzene (CID 103557644) is 4-[1-chloro-2-(1-methoxycyclobutyl)ethyl]-1,2-dimethoxybenzene.
What is the SMILES notation for 4-[1-chloro-2-(1-methoxycyclobutyl)ethyl]-1,2-dimethoxybenzene?
The canonical SMILES for 4-[1-chloro-2-(1-methoxycyclobutyl)ethyl]-1,2-dimethoxybenzene is COc1ccc(C(Cl)CC2(OC)CCC2)cc1OC.
What is the InChIKey of 4-[1-chloro-2-(1-methoxycyclobutyl)ethyl]-1,2-dimethoxybenzene?
The InChIKey is WWDLDXVWIJUBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClO3/c1-17-13-6-5-11(9-14(13)18-2)12(16)10-15(19-3)7-4-8-15/h5-6,9,12H,4,7-8,10H2,1-3H3.
What are the key properties of 4-[1-chloro-2-(1-methoxycyclobutyl)ethyl]-1,2-dimethoxybenzene?
4-[1-chloro-2-(1-methoxycyclobutyl)ethyl]-1,2-dimethoxybenzene has a molecular weight of 284.78 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-chloro-2-(1-methoxycyclobutyl)ethyl]-1,2-dimethoxybenzene is sourced from PubChem (CID 103557644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).