2-[4-(carboxymethyl)phenoxy]-2-phenylacetic acid

C16H14O5 — CID 12754883

IUPAC2-[4-(carboxymethyl)phenoxy]-2-phenylacetic acid
SMILESO=C(O)Cc1ccc(OC(C(=O)O)c2ccccc2)cc1
InChIInChI=1S/C16H14O5/c17-14(18)10-11-6-8-13(9-7-11)21-15(16(19)20)12-4-2-1-3-5-12/h1-9,15H,10H2,(H,17,18)(H,19,20)
InChIKeyLBWIFFJGIBSBKQ-UHFFFAOYSA-N
MW286.28 g/mol
LogP2.52
Rot. Bonds6

About 2-[4-(carboxymethyl)phenoxy]-2-phenylacetic acid

2-[4-(carboxymethyl)phenoxy]-2-phenylacetic acid (PubChem CID 12754883) has the molecular formula C16H14O5 and a molecular weight of 286.28 g/mol. Its IUPAC name is 2-[4-(carboxymethyl)phenoxy]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[4-(carboxymethyl)phenoxy]-2-phenylacetic acid
PubChem CID12754883
Molecular FormulaC16H14O5
Molecular Weight286.28 g/mol
Exact Mass286.08
IUPAC Name2-[4-(carboxymethyl)phenoxy]-2-phenylacetic acid
SMILESO=C(O)Cc1ccc(OC(C(=O)O)c2ccccc2)cc1
InChIInChI=1S/C16H14O5/c17-14(18)10-11-6-8-13(9-7-11)21-15(16(19)20)12-4-2-1-3-5-12/h1-9,15H,10H2,(H,17,18)(H,19,20)
InChIKeyLBWIFFJGIBSBKQ-UHFFFAOYSA-N
XLogP2.52
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenoxy)-2-phenylacetic acid
CID 13020555
(2R)-2-(4-fluorophenoxy)-2-phenylacetic acid
CID 42252726
2-[4-[2-(3,5-dimethylanilino)-2-oxoethyl]phenoxy]-2-phenylacetic acid
CID 20783005
2-phenyl-2-[4-[(2-phenylhydrazinyl)methyl]phenoxy]acetic acid
CID 169386885
(2R)-2-(4-acetylphenoxy)-2-phenylacetic acid
CID 7062308
2-[4-(difluoromethoxy)phenyl]acetic acid
CID 2774127
2-(4-hydroperoxyphenyl)acetic acid
CID 151534269
2-phenyl-2-(3-propan-2-ylphenoxy)acetic acid
CID 21063794
(2R)-2-(3-bromophenoxy)-2-phenylacetic acid
CID 42181032
2-[4-(phenylmethoxymethoxy)phenyl]acetic acid
CID 102939339
2-(3-ethoxyphenoxy)-2-phenylacetic acid
CID 62338438
2-(4-bromo-3-methylphenoxy)-2-phenylacetic acid
CID 20994318

Frequently Asked Questions

What is the IUPAC name of 2-[4-(carboxymethyl)phenoxy]-2-phenylacetic acid?
The IUPAC name of 2-[4-(carboxymethyl)phenoxy]-2-phenylacetic acid (CID 12754883) is 2-[4-(carboxymethyl)phenoxy]-2-phenylacetic acid.
What is the SMILES notation for 2-[4-(carboxymethyl)phenoxy]-2-phenylacetic acid?
The canonical SMILES for 2-[4-(carboxymethyl)phenoxy]-2-phenylacetic acid is O=C(O)Cc1ccc(OC(C(=O)O)c2ccccc2)cc1.
What is the InChIKey of 2-[4-(carboxymethyl)phenoxy]-2-phenylacetic acid?
The InChIKey is LBWIFFJGIBSBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O5/c17-14(18)10-11-6-8-13(9-7-11)21-15(16(19)20)12-4-2-1-3-5-12/h1-9,15H,10H2,(H,17,18)(H,19,20).
What are the key properties of 2-[4-(carboxymethyl)phenoxy]-2-phenylacetic acid?
2-[4-(carboxymethyl)phenoxy]-2-phenylacetic acid has a molecular weight of 286.28 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(carboxymethyl)phenoxy]-2-phenylacetic acid is sourced from PubChem (CID 12754883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).