1-chloro-4-[4-(4-ethylphenyl)phenyl]benzene

C20H17Cl — CID 23391117

IUPAC1-chloro-4-[4-(4-ethylphenyl)phenyl]benzene
SMILESCCc1ccc(-c2ccc(-c3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C20H17Cl/c1-2-15-3-5-16(6-4-15)17-7-9-18(10-8-17)19-11-13-20(21)14-12-19/h3-14H,2H2,1H3
InChIKeyIOJGNQKEDPEKGJ-UHFFFAOYSA-N
MW292.81 g/mol
LogP6.24
Rot. Bonds3

About 1-chloro-4-[4-(4-ethylphenyl)phenyl]benzene

1-chloro-4-[4-(4-ethylphenyl)phenyl]benzene (PubChem CID 23391117) has the molecular formula C20H17Cl and a molecular weight of 292.81 g/mol. Its IUPAC name is 1-chloro-4-[4-(4-ethylphenyl)phenyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[4-(4-ethylphenyl)phenyl]benzene
PubChem CID23391117
Molecular FormulaC20H17Cl
Molecular Weight292.81 g/mol
Exact Mass292.10
IUPAC Name1-chloro-4-[4-(4-ethylphenyl)phenyl]benzene
SMILESCCc1ccc(-c2ccc(-c3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C20H17Cl/c1-2-15-3-5-16(6-4-15)17-7-9-18(10-8-17)19-11-13-20(21)14-12-19/h3-14H,2H2,1H3
InChIKeyIOJGNQKEDPEKGJ-UHFFFAOYSA-N
XLogP6.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.81
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[4-(4-ethylphenyl)phenyl]benzene?
The IUPAC name of 1-chloro-4-[4-(4-ethylphenyl)phenyl]benzene (CID 23391117) is 1-chloro-4-[4-(4-ethylphenyl)phenyl]benzene.
What is the SMILES notation for 1-chloro-4-[4-(4-ethylphenyl)phenyl]benzene?
The canonical SMILES for 1-chloro-4-[4-(4-ethylphenyl)phenyl]benzene is CCc1ccc(-c2ccc(-c3ccc(Cl)cc3)cc2)cc1.
What is the InChIKey of 1-chloro-4-[4-(4-ethylphenyl)phenyl]benzene?
The InChIKey is IOJGNQKEDPEKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl/c1-2-15-3-5-16(6-4-15)17-7-9-18(10-8-17)19-11-13-20(21)14-12-19/h3-14H,2H2,1H3.
What are the key properties of 1-chloro-4-[4-(4-ethylphenyl)phenyl]benzene?
1-chloro-4-[4-(4-ethylphenyl)phenyl]benzene has a molecular weight of 292.81 g/mol, XLogP of 6.24, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[4-(4-ethylphenyl)phenyl]benzene is sourced from PubChem (CID 23391117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).