1-chloro-3-(1,2-diethylcyclobutyl)benzene

C14H19Cl — CID 90203706

IUPAC1-chloro-3-(1,2-diethylcyclobutyl)benzene
SMILESCCC1CCC1(CC)c1cccc(Cl)c1
InChIInChI=1S/C14H19Cl/c1-3-11-8-9-14(11,4-2)12-6-5-7-13(15)10-12/h5-7,10-11H,3-4,8-9H2,1-2H3
InChIKeyAYMYWBWINDIUTG-UHFFFAOYSA-N
MW222.76 g/mol
LogP4.81
Rot. Bonds3

About 1-chloro-3-(1,2-diethylcyclobutyl)benzene

1-chloro-3-(1,2-diethylcyclobutyl)benzene (PubChem CID 90203706) has the molecular formula C14H19Cl and a molecular weight of 222.76 g/mol. Its IUPAC name is 1-chloro-3-(1,2-diethylcyclobutyl)benzene.

Molecular Properties

Compound Name1-chloro-3-(1,2-diethylcyclobutyl)benzene
PubChem CID90203706
Molecular FormulaC14H19Cl
Molecular Weight222.76 g/mol
Exact Mass222.12
IUPAC Name1-chloro-3-(1,2-diethylcyclobutyl)benzene
SMILESCCC1CCC1(CC)c1cccc(Cl)c1
InChIInChI=1S/C14H19Cl/c1-3-11-8-9-14(11,4-2)12-6-5-7-13(15)10-12/h5-7,10-11H,3-4,8-9H2,1-2H3
InChIKeyAYMYWBWINDIUTG-UHFFFAOYSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.76
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-dichloro-5-(1,2-diethylcyclobutyl)benzene;formamide
CID 90203440
3-(3-chlorophenyl)-2,3-diethylpyrrolidine
CID 62354185
N-[[1-(3-chlorophenyl)-2-methylcyclopentyl]methyl]ethanamine
CID 79679172
trans-(1R,2S)-2-(3-chlorophenyl)-2-(methylaminomethyl)cyclohexan-1-ol
CID 58954807
1-chloro-3-(1-methylcyclopropyl)benzene;ethane
CID 171088326
2-(3-chlorophenyl)-2-ethylpiperidine
CID 115058675
1-(3-chlorophenyl)-3-ethylcyclobutane-1-carboxylic acid
CID 65000366
4-(aminomethyl)-4-(3-chlorophenyl)cyclohexan-1-amine
CID 69039976
1-(3-chlorophenyl)-2-methylcyclobutane-1-carboxylic acid
CID 66432381
2-(3-chlorophenyl)-2-propan-2-ylpiperidine
CID 115058678
3-(3-chlorophenyl)-3-ethylpiperazin-2-one
CID 62352117
3-(3-chlorophenyl)-3-ethylpyrrolidine-2,5-dione
CID 43155320

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(1,2-diethylcyclobutyl)benzene?
The IUPAC name of 1-chloro-3-(1,2-diethylcyclobutyl)benzene (CID 90203706) is 1-chloro-3-(1,2-diethylcyclobutyl)benzene.
What is the SMILES notation for 1-chloro-3-(1,2-diethylcyclobutyl)benzene?
The canonical SMILES for 1-chloro-3-(1,2-diethylcyclobutyl)benzene is CCC1CCC1(CC)c1cccc(Cl)c1.
What is the InChIKey of 1-chloro-3-(1,2-diethylcyclobutyl)benzene?
The InChIKey is AYMYWBWINDIUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl/c1-3-11-8-9-14(11,4-2)12-6-5-7-13(15)10-12/h5-7,10-11H,3-4,8-9H2,1-2H3.
What are the key properties of 1-chloro-3-(1,2-diethylcyclobutyl)benzene?
1-chloro-3-(1,2-diethylcyclobutyl)benzene has a molecular weight of 222.76 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(1,2-diethylcyclobutyl)benzene is sourced from PubChem (CID 90203706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).