1-chloro-4-[1-[1-(4-chlorophenyl)cyclobutyl]cyclobutyl]benzene

C20H20Cl2 — CID 91148792

IUPAC1-chloro-4-[1-[1-(4-chlorophenyl)cyclobutyl]cyclobutyl]benzene
SMILESClc1ccc(C2(C3(c4ccc(Cl)cc4)CCC3)CCC2)cc1
InChIInChI=1S/C20H20Cl2/c21-17-7-3-15(4-8-17)19(11-1-12-19)20(13-2-14-20)16-5-9-18(22)10-6-16/h3-10H,1-2,11-14H2
InChIKeySXYTWOAQGCOYHZ-UHFFFAOYSA-N
MW331.29 g/mol
LogP6.54
Rot. Bonds3

About 1-chloro-4-[1-[1-(4-chlorophenyl)cyclobutyl]cyclobutyl]benzene

1-chloro-4-[1-[1-(4-chlorophenyl)cyclobutyl]cyclobutyl]benzene (PubChem CID 91148792) has the molecular formula C20H20Cl2 and a molecular weight of 331.29 g/mol. Its IUPAC name is 1-chloro-4-[1-[1-(4-chlorophenyl)cyclobutyl]cyclobutyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[1-[1-(4-chlorophenyl)cyclobutyl]cyclobutyl]benzene
PubChem CID91148792
Molecular FormulaC20H20Cl2
Molecular Weight331.29 g/mol
Exact Mass330.09
IUPAC Name1-chloro-4-[1-[1-(4-chlorophenyl)cyclobutyl]cyclobutyl]benzene
SMILESClc1ccc(C2(C3(c4ccc(Cl)cc4)CCC3)CCC2)cc1
InChIInChI=1S/C20H20Cl2/c21-17-7-3-15(4-8-17)19(11-1-12-19)20(13-2-14-20)16-5-9-18(22)10-6-16/h3-10H,1-2,11-14H2
InChIKeySXYTWOAQGCOYHZ-UHFFFAOYSA-N
XLogP6.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.29
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(4-chlorophenyl)cyclohexane-1-carbaldehyde
CID 21475899
1-(4-chlorophenyl)cyclopentan-1-amine;hydrochloride
CID 47002947
(1S,6S)-1,6-bis(4-methylphenyl)bicyclo[4.2.0]octane
CID 15247724
1-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethylmethanamine
CID 169436266
1-chloro-4-[1-(difluoromethyl)cyclohexyl]benzene
CID 84728475
2-bromo-2-[1-(4-chlorophenyl)cyclopentyl]acetaldehyde
CID 87523135
3-chloro-N-[2-[1-(4-chlorophenyl)cyclobutyl]ethyl]propan-1-amine
CID 150336913
1-[1-(4-chlorophenyl)cyclopentyl]ethanamine
CID 83691849
1-(1-tert-butylcyclohexyl)-4-chlorobenzene
CID 59590193
[1-(4-chlorophenyl)cycloheptyl]methanamine
CID 28937852
bis[1-(4-chlorophenyl)cyclohexyl]methanone
CID 139779969
1-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidin-1-ium
CID 140667657

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[1-[1-(4-chlorophenyl)cyclobutyl]cyclobutyl]benzene?
The IUPAC name of 1-chloro-4-[1-[1-(4-chlorophenyl)cyclobutyl]cyclobutyl]benzene (CID 91148792) is 1-chloro-4-[1-[1-(4-chlorophenyl)cyclobutyl]cyclobutyl]benzene.
What is the SMILES notation for 1-chloro-4-[1-[1-(4-chlorophenyl)cyclobutyl]cyclobutyl]benzene?
The canonical SMILES for 1-chloro-4-[1-[1-(4-chlorophenyl)cyclobutyl]cyclobutyl]benzene is Clc1ccc(C2(C3(c4ccc(Cl)cc4)CCC3)CCC2)cc1.
What is the InChIKey of 1-chloro-4-[1-[1-(4-chlorophenyl)cyclobutyl]cyclobutyl]benzene?
The InChIKey is SXYTWOAQGCOYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2/c21-17-7-3-15(4-8-17)19(11-1-12-19)20(13-2-14-20)16-5-9-18(22)10-6-16/h3-10H,1-2,11-14H2.
What are the key properties of 1-chloro-4-[1-[1-(4-chlorophenyl)cyclobutyl]cyclobutyl]benzene?
1-chloro-4-[1-[1-(4-chlorophenyl)cyclobutyl]cyclobutyl]benzene has a molecular weight of 331.29 g/mol, XLogP of 6.54, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[1-[1-(4-chlorophenyl)cyclobutyl]cyclobutyl]benzene is sourced from PubChem (CID 91148792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).