1-chloro-4-(4-methoxyphenyl)benzene

C13H11ClO — CID 612791

IUPAC1-chloro-4-(4-methoxyphenyl)benzene
SMILESCOc1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C13H11ClO/c1-15-13-8-4-11(5-9-13)10-2-6-12(14)7-3-10/h2-9H,1H3
InChIKeyPUVSUQVVUYQOBK-UHFFFAOYSA-N
MW218.68 g/mol
LogP4.02
Rot. Bonds2

About 1-chloro-4-(4-methoxyphenyl)benzene

1-chloro-4-(4-methoxyphenyl)benzene (PubChem CID 612791) has the molecular formula C13H11ClO and a molecular weight of 218.68 g/mol. Its IUPAC name is 1-chloro-4-(4-methoxyphenyl)benzene.

Molecular Properties

Compound Name1-chloro-4-(4-methoxyphenyl)benzene
PubChem CID612791
Molecular FormulaC13H11ClO
Molecular Weight218.68 g/mol
Exact Mass218.05
IUPAC Name1-chloro-4-(4-methoxyphenyl)benzene
SMILESCOc1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C13H11ClO/c1-15-13-8-4-11(5-9-13)10-2-6-12(14)7-3-10/h2-9H,1H3
InChIKeyPUVSUQVVUYQOBK-UHFFFAOYSA-N
XLogP4.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.68
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(4-methoxyphenyl)benzene?
The IUPAC name of 1-chloro-4-(4-methoxyphenyl)benzene (CID 612791) is 1-chloro-4-(4-methoxyphenyl)benzene.
What is the SMILES notation for 1-chloro-4-(4-methoxyphenyl)benzene?
The canonical SMILES for 1-chloro-4-(4-methoxyphenyl)benzene is COc1ccc(-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-chloro-4-(4-methoxyphenyl)benzene?
The InChIKey is PUVSUQVVUYQOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClO/c1-15-13-8-4-11(5-9-13)10-2-6-12(14)7-3-10/h2-9H,1H3.
What are the key properties of 1-chloro-4-(4-methoxyphenyl)benzene?
1-chloro-4-(4-methoxyphenyl)benzene has a molecular weight of 218.68 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(4-methoxyphenyl)benzene is sourced from PubChem (CID 612791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).