2-methyl-3-phenoxy-2-phenylpropanoic acid

C16H16O3 — CID 174875676

IUPAC2-methyl-3-phenoxy-2-phenylpropanoic acid
SMILESCC(COc1ccccc1)(C(=O)O)c1ccccc1
InChIInChI=1S/C16H16O3/c1-16(15(17)18,13-8-4-2-5-9-13)12-19-14-10-6-3-7-11-14/h2-11H,12H2,1H3,(H,17,18)
InChIKeyRKWQWYFDYMKOED-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.11
Rot. Bonds5

About 2-methyl-3-phenoxy-2-phenylpropanoic acid

2-methyl-3-phenoxy-2-phenylpropanoic acid (PubChem CID 174875676) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-methyl-3-phenoxy-2-phenylpropanoic acid.

Molecular Properties

Compound Name2-methyl-3-phenoxy-2-phenylpropanoic acid
PubChem CID174875676
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name2-methyl-3-phenoxy-2-phenylpropanoic acid
SMILESCC(COc1ccccc1)(C(=O)O)c1ccccc1
InChIInChI=1S/C16H16O3/c1-16(15(17)18,13-8-4-2-5-9-13)12-19-14-10-6-3-7-11-14/h2-11H,12H2,1H3,(H,17,18)
InChIKeyRKWQWYFDYMKOED-UHFFFAOYSA-N
XLogP3.11
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-2-methyl-2-phenylpropanoic acid
CID 174890846
2-methyl-2-phenyl-3-propoxypropanoic acid
CID 175070195
2,2-dimethyl-3-phenoxypropanoyl chloride
CID 82040727
3-bromo-2-methyl-2-phenylpropanoic acid
CID 131843257
4,4,4-trifluoro-2-methyl-2-phenylbutanoic acid
CID 146082222
2,2-dimethyl-3-(2-phenoxyethoxy)propanoic acid
CID 79623125
2,2-dimethyl-3-phenoxypropanehydrazide
CID 79626313
3-[[2-(4-ethoxyphenoxy)acetyl]amino]-2-methyl-2-phenylpropanoic acid
CID 120700980
2,4-dimethyl-2-phenylpent-4-enoic acid
CID 69253057
2,2-difluoropropoxybenzene
CID 10997493
3-acetamido-2-methyl-2-phenylpropanoic acid
CID 120701382
1-(4-methoxyphenoxy)-2-phenylpropan-2-ol
CID 62373674

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-phenoxy-2-phenylpropanoic acid?
The IUPAC name of 2-methyl-3-phenoxy-2-phenylpropanoic acid (CID 174875676) is 2-methyl-3-phenoxy-2-phenylpropanoic acid.
What is the SMILES notation for 2-methyl-3-phenoxy-2-phenylpropanoic acid?
The canonical SMILES for 2-methyl-3-phenoxy-2-phenylpropanoic acid is CC(COc1ccccc1)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-methyl-3-phenoxy-2-phenylpropanoic acid?
The InChIKey is RKWQWYFDYMKOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-16(15(17)18,13-8-4-2-5-9-13)12-19-14-10-6-3-7-11-14/h2-11H,12H2,1H3,(H,17,18).
What are the key properties of 2-methyl-3-phenoxy-2-phenylpropanoic acid?
2-methyl-3-phenoxy-2-phenylpropanoic acid has a molecular weight of 256.30 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-phenoxy-2-phenylpropanoic acid is sourced from PubChem (CID 174875676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).