2-(2-chloro-6-pyrrol-1-ylphenoxy)-2-phenylacetic acid

C18H14ClNO3 — CID 10616223

IUPAC2-(2-chloro-6-pyrrol-1-ylphenoxy)-2-phenylacetic acid
SMILESO=C(O)C(Oc1c(Cl)cccc1-n1cccc1)c1ccccc1
InChIInChI=1S/C18H14ClNO3/c19-14-9-6-10-15(20-11-4-5-12-20)17(14)23-16(18(21)22)13-7-2-1-3-8-13/h1-12,16H,(H,21,22)
InChIKeyJBDNTNXVXOHPBD-UHFFFAOYSA-N
MW327.77 g/mol
LogP4.34
Rot. Bonds5

About 2-(2-chloro-6-pyrrol-1-ylphenoxy)-2-phenylacetic acid

2-(2-chloro-6-pyrrol-1-ylphenoxy)-2-phenylacetic acid (PubChem CID 10616223) has the molecular formula C18H14ClNO3 and a molecular weight of 327.77 g/mol. Its IUPAC name is 2-(2-chloro-6-pyrrol-1-ylphenoxy)-2-phenylacetic acid.

Molecular Properties

Compound Name2-(2-chloro-6-pyrrol-1-ylphenoxy)-2-phenylacetic acid
PubChem CID10616223
Molecular FormulaC18H14ClNO3
Molecular Weight327.77 g/mol
Exact Mass327.07
IUPAC Name2-(2-chloro-6-pyrrol-1-ylphenoxy)-2-phenylacetic acid
SMILESO=C(O)C(Oc1c(Cl)cccc1-n1cccc1)c1ccccc1
InChIInChI=1S/C18H14ClNO3/c19-14-9-6-10-15(20-11-4-5-12-20)17(14)23-16(18(21)22)13-7-2-1-3-8-13/h1-12,16H,(H,21,22)
InChIKeyJBDNTNXVXOHPBD-UHFFFAOYSA-N
XLogP4.34
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-pyrrol-1-ylphenoxy)-2-phenylacetic acid?
The IUPAC name of 2-(2-chloro-6-pyrrol-1-ylphenoxy)-2-phenylacetic acid (CID 10616223) is 2-(2-chloro-6-pyrrol-1-ylphenoxy)-2-phenylacetic acid.
What is the SMILES notation for 2-(2-chloro-6-pyrrol-1-ylphenoxy)-2-phenylacetic acid?
The canonical SMILES for 2-(2-chloro-6-pyrrol-1-ylphenoxy)-2-phenylacetic acid is O=C(O)C(Oc1c(Cl)cccc1-n1cccc1)c1ccccc1.
What is the InChIKey of 2-(2-chloro-6-pyrrol-1-ylphenoxy)-2-phenylacetic acid?
The InChIKey is JBDNTNXVXOHPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO3/c19-14-9-6-10-15(20-11-4-5-12-20)17(14)23-16(18(21)22)13-7-2-1-3-8-13/h1-12,16H,(H,21,22).
What are the key properties of 2-(2-chloro-6-pyrrol-1-ylphenoxy)-2-phenylacetic acid?
2-(2-chloro-6-pyrrol-1-ylphenoxy)-2-phenylacetic acid has a molecular weight of 327.77 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-pyrrol-1-ylphenoxy)-2-phenylacetic acid is sourced from PubChem (CID 10616223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).