1,2-dichloro-4-[1-(2-methylphenyl)cyclobutyl]benzene

C17H16Cl2 — CID 151655065

IUPAC1,2-dichloro-4-[1-(2-methylphenyl)cyclobutyl]benzene
SMILESCc1ccccc1C1(c2ccc(Cl)c(Cl)c2)CCC1
InChIInChI=1S/C17H16Cl2/c1-12-5-2-3-6-14(12)17(9-4-10-17)13-7-8-15(18)16(19)11-13/h2-3,5-8,11H,4,9-10H2,1H3
InChIKeyQVIBCNYAWPIBCX-UHFFFAOYSA-N
MW291.22 g/mol
LogP5.77
Rot. Bonds2

About 1,2-dichloro-4-[1-(2-methylphenyl)cyclobutyl]benzene

1,2-dichloro-4-[1-(2-methylphenyl)cyclobutyl]benzene (PubChem CID 151655065) has the molecular formula C17H16Cl2 and a molecular weight of 291.22 g/mol. Its IUPAC name is 1,2-dichloro-4-[1-(2-methylphenyl)cyclobutyl]benzene.

Molecular Properties

Compound Name1,2-dichloro-4-[1-(2-methylphenyl)cyclobutyl]benzene
PubChem CID151655065
Molecular FormulaC17H16Cl2
Molecular Weight291.22 g/mol
Exact Mass290.06
IUPAC Name1,2-dichloro-4-[1-(2-methylphenyl)cyclobutyl]benzene
SMILESCc1ccccc1C1(c2ccc(Cl)c(Cl)c2)CCC1
InChIInChI=1S/C17H16Cl2/c1-12-5-2-3-6-14(12)17(9-4-10-17)13-7-8-15(18)16(19)11-13/h2-3,5-8,11H,4,9-10H2,1H3
InChIKeyQVIBCNYAWPIBCX-UHFFFAOYSA-N
XLogP5.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.22
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-[1-(2-methylphenyl)cyclobutyl]benzene?
The IUPAC name of 1,2-dichloro-4-[1-(2-methylphenyl)cyclobutyl]benzene (CID 151655065) is 1,2-dichloro-4-[1-(2-methylphenyl)cyclobutyl]benzene.
What is the SMILES notation for 1,2-dichloro-4-[1-(2-methylphenyl)cyclobutyl]benzene?
The canonical SMILES for 1,2-dichloro-4-[1-(2-methylphenyl)cyclobutyl]benzene is Cc1ccccc1C1(c2ccc(Cl)c(Cl)c2)CCC1.
What is the InChIKey of 1,2-dichloro-4-[1-(2-methylphenyl)cyclobutyl]benzene?
The InChIKey is QVIBCNYAWPIBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2/c1-12-5-2-3-6-14(12)17(9-4-10-17)13-7-8-15(18)16(19)11-13/h2-3,5-8,11H,4,9-10H2,1H3.
What are the key properties of 1,2-dichloro-4-[1-(2-methylphenyl)cyclobutyl]benzene?
1,2-dichloro-4-[1-(2-methylphenyl)cyclobutyl]benzene has a molecular weight of 291.22 g/mol, XLogP of 5.77, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-[1-(2-methylphenyl)cyclobutyl]benzene is sourced from PubChem (CID 151655065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).