2-(5-chloro-2-phenoxyphenyl)acetic acid

C14H11ClO3 — CID 12765114

IUPAC2-(5-chloro-2-phenoxyphenyl)acetic acid
SMILESO=C(O)Cc1cc(Cl)ccc1Oc1ccccc1
InChIInChI=1S/C14H11ClO3/c15-11-6-7-13(10(8-11)9-14(16)17)18-12-4-2-1-3-5-12/h1-8H,9H2,(H,16,17)
InChIKeyPKMKNEIUKHPJAX-UHFFFAOYSA-N
MW262.69 g/mol
LogP3.76
Rot. Bonds4

About 2-(5-chloro-2-phenoxyphenyl)acetic acid

2-(5-chloro-2-phenoxyphenyl)acetic acid (PubChem CID 12765114) has the molecular formula C14H11ClO3 and a molecular weight of 262.69 g/mol. Its IUPAC name is 2-(5-chloro-2-phenoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(5-chloro-2-phenoxyphenyl)acetic acid
PubChem CID12765114
Molecular FormulaC14H11ClO3
Molecular Weight262.69 g/mol
Exact Mass262.04
IUPAC Name2-(5-chloro-2-phenoxyphenyl)acetic acid
SMILESO=C(O)Cc1cc(Cl)ccc1Oc1ccccc1
InChIInChI=1S/C14H11ClO3/c15-11-6-7-13(10(8-11)9-14(16)17)18-12-4-2-1-3-5-12/h1-8H,9H2,(H,16,17)
InChIKeyPKMKNEIUKHPJAX-UHFFFAOYSA-N
XLogP3.76
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.69
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-phenoxyphenyl)acetic acid?
The IUPAC name of 2-(5-chloro-2-phenoxyphenyl)acetic acid (CID 12765114) is 2-(5-chloro-2-phenoxyphenyl)acetic acid.
What is the SMILES notation for 2-(5-chloro-2-phenoxyphenyl)acetic acid?
The canonical SMILES for 2-(5-chloro-2-phenoxyphenyl)acetic acid is O=C(O)Cc1cc(Cl)ccc1Oc1ccccc1.
What is the InChIKey of 2-(5-chloro-2-phenoxyphenyl)acetic acid?
The InChIKey is PKMKNEIUKHPJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO3/c15-11-6-7-13(10(8-11)9-14(16)17)18-12-4-2-1-3-5-12/h1-8H,9H2,(H,16,17).
What are the key properties of 2-(5-chloro-2-phenoxyphenyl)acetic acid?
2-(5-chloro-2-phenoxyphenyl)acetic acid has a molecular weight of 262.69 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-phenoxyphenyl)acetic acid is sourced from PubChem (CID 12765114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).