(5-chloro-2-hydroxy-3-methylphenyl)-(1H-pyrrol-2-yl)methanone

C12H10ClNO2 — CID 145233526

IUPAC(5-chloro-2-hydroxy-3-methylphenyl)-(1H-pyrrol-2-yl)methanone
SMILESCc1cc(Cl)cc(C(=O)c2ccc[nH]2)c1O
InChIInChI=1S/C12H10ClNO2/c1-7-5-8(13)6-9(11(7)15)12(16)10-3-2-4-14-10/h2-6,14-15H,1H3
InChIKeyVIMIPVASQLWCQY-UHFFFAOYSA-N
MW235.67 g/mol
LogP2.91
Rot. Bonds2

About (5-chloro-2-hydroxy-3-methylphenyl)-(1H-pyrrol-2-yl)methanone

(5-chloro-2-hydroxy-3-methylphenyl)-(1H-pyrrol-2-yl)methanone (PubChem CID 145233526) has the molecular formula C12H10ClNO2 and a molecular weight of 235.67 g/mol. Its IUPAC name is (5-chloro-2-hydroxy-3-methylphenyl)-(1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name(5-chloro-2-hydroxy-3-methylphenyl)-(1H-pyrrol-2-yl)methanone
PubChem CID145233526
Molecular FormulaC12H10ClNO2
Molecular Weight235.67 g/mol
Exact Mass235.04
IUPAC Name(5-chloro-2-hydroxy-3-methylphenyl)-(1H-pyrrol-2-yl)methanone
SMILESCc1cc(Cl)cc(C(=O)c2ccc[nH]2)c1O
InChIInChI=1S/C12H10ClNO2/c1-7-5-8(13)6-9(11(7)15)12(16)10-3-2-4-14-10/h2-6,14-15H,1H3
InChIKeyVIMIPVASQLWCQY-UHFFFAOYSA-N
XLogP2.91
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-hydroxy-3-methylphenyl)-(1H-pyrrol-2-yl)methanone?
The IUPAC name of (5-chloro-2-hydroxy-3-methylphenyl)-(1H-pyrrol-2-yl)methanone (CID 145233526) is (5-chloro-2-hydroxy-3-methylphenyl)-(1H-pyrrol-2-yl)methanone.
What is the SMILES notation for (5-chloro-2-hydroxy-3-methylphenyl)-(1H-pyrrol-2-yl)methanone?
The canonical SMILES for (5-chloro-2-hydroxy-3-methylphenyl)-(1H-pyrrol-2-yl)methanone is Cc1cc(Cl)cc(C(=O)c2ccc[nH]2)c1O.
What is the InChIKey of (5-chloro-2-hydroxy-3-methylphenyl)-(1H-pyrrol-2-yl)methanone?
The InChIKey is VIMIPVASQLWCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO2/c1-7-5-8(13)6-9(11(7)15)12(16)10-3-2-4-14-10/h2-6,14-15H,1H3.
What are the key properties of (5-chloro-2-hydroxy-3-methylphenyl)-(1H-pyrrol-2-yl)methanone?
(5-chloro-2-hydroxy-3-methylphenyl)-(1H-pyrrol-2-yl)methanone has a molecular weight of 235.67 g/mol, XLogP of 2.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-hydroxy-3-methylphenyl)-(1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 145233526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).