1-(3-chloro-4-methoxyphenyl)pyrrole

C11H10ClNO — CID 4715113

IUPAC1-(3-chloro-4-methoxyphenyl)pyrrole
SMILESCOc1ccc(-n2cccc2)cc1Cl
InChIInChI=1S/C11H10ClNO/c1-14-11-5-4-9(8-10(11)12)13-6-2-3-7-13/h2-8H,1H3
InChIKeyPPEIZAXVRYVJAJ-UHFFFAOYSA-N
MW207.66 g/mol
LogP3.14
Rot. Bonds2

About 1-(3-chloro-4-methoxyphenyl)pyrrole

1-(3-chloro-4-methoxyphenyl)pyrrole (PubChem CID 4715113) has the molecular formula C11H10ClNO and a molecular weight of 207.66 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)pyrrole.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)pyrrole
PubChem CID4715113
Molecular FormulaC11H10ClNO
Molecular Weight207.66 g/mol
Exact Mass207.05
IUPAC Name1-(3-chloro-4-methoxyphenyl)pyrrole
SMILESCOc1ccc(-n2cccc2)cc1Cl
InChIInChI=1S/C11H10ClNO/c1-14-11-5-4-9(8-10(11)12)13-6-2-3-7-13/h2-8H,1H3
InChIKeyPPEIZAXVRYVJAJ-UHFFFAOYSA-N
XLogP3.14
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)pyrrole?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)pyrrole (CID 4715113) is 1-(3-chloro-4-methoxyphenyl)pyrrole.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)pyrrole?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)pyrrole is COc1ccc(-n2cccc2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)pyrrole?
The InChIKey is PPEIZAXVRYVJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO/c1-14-11-5-4-9(8-10(11)12)13-6-2-3-7-13/h2-8H,1H3.
What are the key properties of 1-(3-chloro-4-methoxyphenyl)pyrrole?
1-(3-chloro-4-methoxyphenyl)pyrrole has a molecular weight of 207.66 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxyphenyl)pyrrole is sourced from PubChem (CID 4715113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).