4-(4-chlorophenyl)-5-(2-methoxyphenyl)-2,3-dihydro-1H-pyrrole

C17H16ClNO — CID 174823810

IUPAC4-(4-chlorophenyl)-5-(2-methoxyphenyl)-2,3-dihydro-1H-pyrrole
SMILESCOc1ccccc1C1=C(c2ccc(Cl)cc2)CCN1
InChIInChI=1S/C17H16ClNO/c1-20-16-5-3-2-4-15(16)17-14(10-11-19-17)12-6-8-13(18)9-7-12/h2-9,19H,10-11H2,1H3
InChIKeyWOFBASZSHCDQJQ-UHFFFAOYSA-N
MW285.77 g/mol
LogP4.21
Rot. Bonds3

About 4-(4-chlorophenyl)-5-(2-methoxyphenyl)-2,3-dihydro-1H-pyrrole

4-(4-chlorophenyl)-5-(2-methoxyphenyl)-2,3-dihydro-1H-pyrrole (PubChem CID 174823810) has the molecular formula C17H16ClNO and a molecular weight of 285.77 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-5-(2-methoxyphenyl)-2,3-dihydro-1H-pyrrole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-5-(2-methoxyphenyl)-2,3-dihydro-1H-pyrrole
PubChem CID174823810
Molecular FormulaC17H16ClNO
Molecular Weight285.77 g/mol
Exact Mass285.09
IUPAC Name4-(4-chlorophenyl)-5-(2-methoxyphenyl)-2,3-dihydro-1H-pyrrole
SMILESCOc1ccccc1C1=C(c2ccc(Cl)cc2)CCN1
InChIInChI=1S/C17H16ClNO/c1-20-16-5-3-2-4-15(16)17-14(10-11-19-17)12-6-8-13(18)9-7-12/h2-9,19H,10-11H2,1H3
InChIKeyWOFBASZSHCDQJQ-UHFFFAOYSA-N
XLogP4.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-5-(2-methoxyphenyl)-2,3-dihydro-1H-pyrrole?
The IUPAC name of 4-(4-chlorophenyl)-5-(2-methoxyphenyl)-2,3-dihydro-1H-pyrrole (CID 174823810) is 4-(4-chlorophenyl)-5-(2-methoxyphenyl)-2,3-dihydro-1H-pyrrole.
What is the SMILES notation for 4-(4-chlorophenyl)-5-(2-methoxyphenyl)-2,3-dihydro-1H-pyrrole?
The canonical SMILES for 4-(4-chlorophenyl)-5-(2-methoxyphenyl)-2,3-dihydro-1H-pyrrole is COc1ccccc1C1=C(c2ccc(Cl)cc2)CCN1.
What is the InChIKey of 4-(4-chlorophenyl)-5-(2-methoxyphenyl)-2,3-dihydro-1H-pyrrole?
The InChIKey is WOFBASZSHCDQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO/c1-20-16-5-3-2-4-15(16)17-14(10-11-19-17)12-6-8-13(18)9-7-12/h2-9,19H,10-11H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-5-(2-methoxyphenyl)-2,3-dihydro-1H-pyrrole?
4-(4-chlorophenyl)-5-(2-methoxyphenyl)-2,3-dihydro-1H-pyrrole has a molecular weight of 285.77 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-5-(2-methoxyphenyl)-2,3-dihydro-1H-pyrrole is sourced from PubChem (CID 174823810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).