2-(3-phenylmethoxyphenyl)acetic acid

C15H14O3 — CID 4592030

IUPAC2-(3-phenylmethoxyphenyl)acetic acid
SMILESO=C(O)Cc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C15H14O3/c16-15(17)10-13-7-4-8-14(9-13)18-11-12-5-2-1-3-6-12/h1-9H,10-11H2,(H,16,17)
InChIKeyLLZKAZNUCYYBQO-UHFFFAOYSA-N
MW242.27 g/mol
LogP2.89
Rot. Bonds5

About 2-(3-phenylmethoxyphenyl)acetic acid

2-(3-phenylmethoxyphenyl)acetic acid (PubChem CID 4592030) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is 2-(3-phenylmethoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(3-phenylmethoxyphenyl)acetic acid
PubChem CID4592030
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name2-(3-phenylmethoxyphenyl)acetic acid
SMILESO=C(O)Cc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C15H14O3/c16-15(17)10-13-7-4-8-14(9-13)18-11-12-5-2-1-3-6-12/h1-9H,10-11H2,(H,16,17)
InChIKeyLLZKAZNUCYYBQO-UHFFFAOYSA-N
XLogP2.89
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylmethoxyphenyl)acetic acid?
The IUPAC name of 2-(3-phenylmethoxyphenyl)acetic acid (CID 4592030) is 2-(3-phenylmethoxyphenyl)acetic acid.
What is the SMILES notation for 2-(3-phenylmethoxyphenyl)acetic acid?
The canonical SMILES for 2-(3-phenylmethoxyphenyl)acetic acid is O=C(O)Cc1cccc(OCc2ccccc2)c1.
What is the InChIKey of 2-(3-phenylmethoxyphenyl)acetic acid?
The InChIKey is LLZKAZNUCYYBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c16-15(17)10-13-7-4-8-14(9-13)18-11-12-5-2-1-3-6-12/h1-9H,10-11H2,(H,16,17).
What are the key properties of 2-(3-phenylmethoxyphenyl)acetic acid?
2-(3-phenylmethoxyphenyl)acetic acid has a molecular weight of 242.27 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylmethoxyphenyl)acetic acid is sourced from PubChem (CID 4592030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).