(5-chloro-2-pyrrol-1-ylphenyl)methanol

C11H10ClNO — CID 86239932

IUPAC(5-chloro-2-pyrrol-1-ylphenyl)methanol
SMILESOCc1cc(Cl)ccc1-n1cccc1
InChIInChI=1S/C11H10ClNO/c12-10-3-4-11(9(7-10)8-14)13-5-1-2-6-13/h1-7,14H,8H2
InChIKeyGXRPJLQBVCZTPF-UHFFFAOYSA-N
MW207.66 g/mol
LogP2.62
Rot. Bonds2

About (5-chloro-2-pyrrol-1-ylphenyl)methanol

(5-chloro-2-pyrrol-1-ylphenyl)methanol (PubChem CID 86239932) has the molecular formula C11H10ClNO and a molecular weight of 207.66 g/mol. Its IUPAC name is (5-chloro-2-pyrrol-1-ylphenyl)methanol.

Molecular Properties

Compound Name(5-chloro-2-pyrrol-1-ylphenyl)methanol
PubChem CID86239932
Molecular FormulaC11H10ClNO
Molecular Weight207.66 g/mol
Exact Mass207.05
IUPAC Name(5-chloro-2-pyrrol-1-ylphenyl)methanol
SMILESOCc1cc(Cl)ccc1-n1cccc1
InChIInChI=1S/C11H10ClNO/c12-10-3-4-11(9(7-10)8-14)13-5-1-2-6-13/h1-7,14H,8H2
InChIKeyGXRPJLQBVCZTPF-UHFFFAOYSA-N
XLogP2.62
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-pyrrol-1-ylphenyl)methanol?
The IUPAC name of (5-chloro-2-pyrrol-1-ylphenyl)methanol (CID 86239932) is (5-chloro-2-pyrrol-1-ylphenyl)methanol.
What is the SMILES notation for (5-chloro-2-pyrrol-1-ylphenyl)methanol?
The canonical SMILES for (5-chloro-2-pyrrol-1-ylphenyl)methanol is OCc1cc(Cl)ccc1-n1cccc1.
What is the InChIKey of (5-chloro-2-pyrrol-1-ylphenyl)methanol?
The InChIKey is GXRPJLQBVCZTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO/c12-10-3-4-11(9(7-10)8-14)13-5-1-2-6-13/h1-7,14H,8H2.
What are the key properties of (5-chloro-2-pyrrol-1-ylphenyl)methanol?
(5-chloro-2-pyrrol-1-ylphenyl)methanol has a molecular weight of 207.66 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-pyrrol-1-ylphenyl)methanol is sourced from PubChem (CID 86239932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).