1-chloro-4-methoxy-2-phenylbenzene

C13H11ClO — CID 11348870

IUPAC1-chloro-4-methoxy-2-phenylbenzene
SMILESCOc1ccc(Cl)c(-c2ccccc2)c1
InChIInChI=1S/C13H11ClO/c1-15-11-7-8-13(14)12(9-11)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyQCTJQZIAQFNGPT-UHFFFAOYSA-N
MW218.68 g/mol
LogP4.02
Rot. Bonds2

About 1-chloro-4-methoxy-2-phenylbenzene

1-chloro-4-methoxy-2-phenylbenzene (PubChem CID 11348870) has the molecular formula C13H11ClO and a molecular weight of 218.68 g/mol. Its IUPAC name is 1-chloro-4-methoxy-2-phenylbenzene.

Molecular Properties

Compound Name1-chloro-4-methoxy-2-phenylbenzene
PubChem CID11348870
Molecular FormulaC13H11ClO
Molecular Weight218.68 g/mol
Exact Mass218.05
IUPAC Name1-chloro-4-methoxy-2-phenylbenzene
SMILESCOc1ccc(Cl)c(-c2ccccc2)c1
InChIInChI=1S/C13H11ClO/c1-15-11-7-8-13(14)12(9-11)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyQCTJQZIAQFNGPT-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-methoxy-2-phenylbenzene?
The IUPAC name of 1-chloro-4-methoxy-2-phenylbenzene (CID 11348870) is 1-chloro-4-methoxy-2-phenylbenzene.
What is the SMILES notation for 1-chloro-4-methoxy-2-phenylbenzene?
The canonical SMILES for 1-chloro-4-methoxy-2-phenylbenzene is COc1ccc(Cl)c(-c2ccccc2)c1.
What is the InChIKey of 1-chloro-4-methoxy-2-phenylbenzene?
The InChIKey is QCTJQZIAQFNGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClO/c1-15-11-7-8-13(14)12(9-11)10-5-3-2-4-6-10/h2-9H,1H3.
What are the key properties of 1-chloro-4-methoxy-2-phenylbenzene?
1-chloro-4-methoxy-2-phenylbenzene 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-methoxy-2-phenylbenzene is sourced from PubChem (CID 11348870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).