1-benzyl-2-chloro-3-methoxy-5-phenylpyrrole

C18H16ClNO — CID 174510723

IUPAC1-benzyl-2-chloro-3-methoxy-5-phenylpyrrole
SMILESCOc1cc(-c2ccccc2)n(Cc2ccccc2)c1Cl
InChIInChI=1S/C18H16ClNO/c1-21-17-12-16(15-10-6-3-7-11-15)20(18(17)19)13-14-8-4-2-5-9-14/h2-12H,13H2,1H3
InChIKeyLDPIGJJDPWGYLL-UHFFFAOYSA-N
MW297.79 g/mol
LogP4.87
Rot. Bonds4

About 1-benzyl-2-chloro-3-methoxy-5-phenylpyrrole

1-benzyl-2-chloro-3-methoxy-5-phenylpyrrole (PubChem CID 174510723) has the molecular formula C18H16ClNO and a molecular weight of 297.79 g/mol. Its IUPAC name is 1-benzyl-2-chloro-3-methoxy-5-phenylpyrrole.

Molecular Properties

Compound Name1-benzyl-2-chloro-3-methoxy-5-phenylpyrrole
PubChem CID174510723
Molecular FormulaC18H16ClNO
Molecular Weight297.79 g/mol
Exact Mass297.09
IUPAC Name1-benzyl-2-chloro-3-methoxy-5-phenylpyrrole
SMILESCOc1cc(-c2ccccc2)n(Cc2ccccc2)c1Cl
InChIInChI=1S/C18H16ClNO/c1-21-17-12-16(15-10-6-3-7-11-15)20(18(17)19)13-14-8-4-2-5-9-14/h2-12H,13H2,1H3
InChIKeyLDPIGJJDPWGYLL-UHFFFAOYSA-N
XLogP4.87
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-chloro-3-methoxy-5-phenylpyrrole?
The IUPAC name of 1-benzyl-2-chloro-3-methoxy-5-phenylpyrrole (CID 174510723) is 1-benzyl-2-chloro-3-methoxy-5-phenylpyrrole.
What is the SMILES notation for 1-benzyl-2-chloro-3-methoxy-5-phenylpyrrole?
The canonical SMILES for 1-benzyl-2-chloro-3-methoxy-5-phenylpyrrole is COc1cc(-c2ccccc2)n(Cc2ccccc2)c1Cl.
What is the InChIKey of 1-benzyl-2-chloro-3-methoxy-5-phenylpyrrole?
The InChIKey is LDPIGJJDPWGYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO/c1-21-17-12-16(15-10-6-3-7-11-15)20(18(17)19)13-14-8-4-2-5-9-14/h2-12H,13H2,1H3.
What are the key properties of 1-benzyl-2-chloro-3-methoxy-5-phenylpyrrole?
1-benzyl-2-chloro-3-methoxy-5-phenylpyrrole has a molecular weight of 297.79 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-chloro-3-methoxy-5-phenylpyrrole is sourced from PubChem (CID 174510723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).