(4-chlorophenyl)-[4-[[1-(3-hydroxypropyl)pyrrol-2-yl]methyl]phenyl]methanone

C21H20ClNO2 — CID 57107265

IUPAC(4-chlorophenyl)-[4-[[1-(3-hydroxypropyl)pyrrol-2-yl]methyl]phenyl]methanone
SMILESO=C(c1ccc(Cl)cc1)c1ccc(Cc2cccn2CCCO)cc1
InChIInChI=1S/C21H20ClNO2/c22-19-10-8-18(9-11-19)21(25)17-6-4-16(5-7-17)15-20-3-1-12-23(20)13-2-14-24/h1,3-12,24H,2,13-15H2
InChIKeyQZKABMULAYJYRW-UHFFFAOYSA-N
MW353.85 g/mol
LogP4.35
Rot. Bonds7

About (4-chlorophenyl)-[4-[[1-(3-hydroxypropyl)pyrrol-2-yl]methyl]phenyl]methanone

(4-chlorophenyl)-[4-[[1-(3-hydroxypropyl)pyrrol-2-yl]methyl]phenyl]methanone (PubChem CID 57107265) has the molecular formula C21H20ClNO2 and a molecular weight of 353.85 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-[[1-(3-hydroxypropyl)pyrrol-2-yl]methyl]phenyl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-[[1-(3-hydroxypropyl)pyrrol-2-yl]methyl]phenyl]methanone
PubChem CID57107265
Molecular FormulaC21H20ClNO2
Molecular Weight353.85 g/mol
Exact Mass353.12
IUPAC Name(4-chlorophenyl)-[4-[[1-(3-hydroxypropyl)pyrrol-2-yl]methyl]phenyl]methanone
SMILESO=C(c1ccc(Cl)cc1)c1ccc(Cc2cccn2CCCO)cc1
InChIInChI=1S/C21H20ClNO2/c22-19-10-8-18(9-11-19)21(25)17-6-4-16(5-7-17)15-20-3-1-12-23(20)13-2-14-24/h1,3-12,24H,2,13-15H2
InChIKeyQZKABMULAYJYRW-UHFFFAOYSA-N
XLogP4.35
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-[[1-(3-hydroxypropyl)pyrrol-2-yl]methyl]phenyl]methanone?
The IUPAC name of (4-chlorophenyl)-[4-[[1-(3-hydroxypropyl)pyrrol-2-yl]methyl]phenyl]methanone (CID 57107265) is (4-chlorophenyl)-[4-[[1-(3-hydroxypropyl)pyrrol-2-yl]methyl]phenyl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[4-[[1-(3-hydroxypropyl)pyrrol-2-yl]methyl]phenyl]methanone?
The canonical SMILES for (4-chlorophenyl)-[4-[[1-(3-hydroxypropyl)pyrrol-2-yl]methyl]phenyl]methanone is O=C(c1ccc(Cl)cc1)c1ccc(Cc2cccn2CCCO)cc1.
What is the InChIKey of (4-chlorophenyl)-[4-[[1-(3-hydroxypropyl)pyrrol-2-yl]methyl]phenyl]methanone?
The InChIKey is QZKABMULAYJYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClNO2/c22-19-10-8-18(9-11-19)21(25)17-6-4-16(5-7-17)15-20-3-1-12-23(20)13-2-14-24/h1,3-12,24H,2,13-15H2.
What are the key properties of (4-chlorophenyl)-[4-[[1-(3-hydroxypropyl)pyrrol-2-yl]methyl]phenyl]methanone?
(4-chlorophenyl)-[4-[[1-(3-hydroxypropyl)pyrrol-2-yl]methyl]phenyl]methanone has a molecular weight of 353.85 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-[[1-(3-hydroxypropyl)pyrrol-2-yl]methyl]phenyl]methanone is sourced from PubChem (CID 57107265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).