(2-chlorophenyl)-[1-[(4-hydroxyphenyl)methyl]pyrrol-2-yl]methanone

C18H14ClNO2 — CID 177375492

IUPAC(2-chlorophenyl)-[1-[(4-hydroxyphenyl)methyl]pyrrol-2-yl]methanone
SMILESO=C(c1ccccc1Cl)c1cccn1Cc1ccc(O)cc1
InChIInChI=1S/C18H14ClNO2/c19-16-5-2-1-4-15(16)18(22)17-6-3-11-20(17)12-13-7-9-14(21)10-8-13/h1-11,21H,12H2
InChIKeyYFRDULUJBAIREC-UHFFFAOYSA-N
MW311.77 g/mol
LogP4.13
Rot. Bonds4

About (2-chlorophenyl)-[1-[(4-hydroxyphenyl)methyl]pyrrol-2-yl]methanone

(2-chlorophenyl)-[1-[(4-hydroxyphenyl)methyl]pyrrol-2-yl]methanone (PubChem CID 177375492) has the molecular formula C18H14ClNO2 and a molecular weight of 311.77 g/mol. Its IUPAC name is (2-chlorophenyl)-[1-[(4-hydroxyphenyl)methyl]pyrrol-2-yl]methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[1-[(4-hydroxyphenyl)methyl]pyrrol-2-yl]methanone
PubChem CID177375492
Molecular FormulaC18H14ClNO2
Molecular Weight311.77 g/mol
Exact Mass311.07
IUPAC Name(2-chlorophenyl)-[1-[(4-hydroxyphenyl)methyl]pyrrol-2-yl]methanone
SMILESO=C(c1ccccc1Cl)c1cccn1Cc1ccc(O)cc1
InChIInChI=1S/C18H14ClNO2/c19-16-5-2-1-4-15(16)18(22)17-6-3-11-20(17)12-13-7-9-14(21)10-8-13/h1-11,21H,12H2
InChIKeyYFRDULUJBAIREC-UHFFFAOYSA-N
XLogP4.13
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[1-[(4-hydroxyphenyl)methyl]pyrrol-2-yl]methanone?
The IUPAC name of (2-chlorophenyl)-[1-[(4-hydroxyphenyl)methyl]pyrrol-2-yl]methanone (CID 177375492) is (2-chlorophenyl)-[1-[(4-hydroxyphenyl)methyl]pyrrol-2-yl]methanone.
What is the SMILES notation for (2-chlorophenyl)-[1-[(4-hydroxyphenyl)methyl]pyrrol-2-yl]methanone?
The canonical SMILES for (2-chlorophenyl)-[1-[(4-hydroxyphenyl)methyl]pyrrol-2-yl]methanone is O=C(c1ccccc1Cl)c1cccn1Cc1ccc(O)cc1.
What is the InChIKey of (2-chlorophenyl)-[1-[(4-hydroxyphenyl)methyl]pyrrol-2-yl]methanone?
The InChIKey is YFRDULUJBAIREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO2/c19-16-5-2-1-4-15(16)18(22)17-6-3-11-20(17)12-13-7-9-14(21)10-8-13/h1-11,21H,12H2.
What are the key properties of (2-chlorophenyl)-[1-[(4-hydroxyphenyl)methyl]pyrrol-2-yl]methanone?
(2-chlorophenyl)-[1-[(4-hydroxyphenyl)methyl]pyrrol-2-yl]methanone has a molecular weight of 311.77 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[1-[(4-hydroxyphenyl)methyl]pyrrol-2-yl]methanone is sourced from PubChem (CID 177375492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).