2-(3-ethoxyphenoxy)-2-phenylacetic acid

C16H16O4 — CID 62338438

IUPAC2-(3-ethoxyphenoxy)-2-phenylacetic acid
SMILESCCOc1cccc(OC(C(=O)O)c2ccccc2)c1
InChIInChI=1S/C16H16O4/c1-2-19-13-9-6-10-14(11-13)20-15(16(17)18)12-7-4-3-5-8-12/h3-11,15H,2H2,1H3,(H,17,18)
InChIKeyXBABBHLMSFVGKM-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.29
Rot. Bonds6

About 2-(3-ethoxyphenoxy)-2-phenylacetic acid

2-(3-ethoxyphenoxy)-2-phenylacetic acid (PubChem CID 62338438) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-(3-ethoxyphenoxy)-2-phenylacetic acid.

Molecular Properties

Compound Name2-(3-ethoxyphenoxy)-2-phenylacetic acid
PubChem CID62338438
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name2-(3-ethoxyphenoxy)-2-phenylacetic acid
SMILESCCOc1cccc(OC(C(=O)O)c2ccccc2)c1
InChIInChI=1S/C16H16O4/c1-2-19-13-9-6-10-14(11-13)20-15(16(17)18)12-7-4-3-5-8-12/h3-11,15H,2H2,1H3,(H,17,18)
InChIKeyXBABBHLMSFVGKM-UHFFFAOYSA-N
XLogP3.29
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-2-(3-propan-2-ylphenoxy)acetic acid
CID 21063794
2-(3-ethoxyphenyl)-2-propoxyacetic acid
CID 83224813
(2R)-2-amino-2-(3-ethoxyphenyl)acetic acid
CID 7046833
ethyl 2-(3-methoxyphenoxy)-2-phenylacetate
CID 117065644
(2R)-2-(3-bromophenoxy)-2-phenylacetic acid
CID 42181032
2-(3-ethoxyphenoxy)-3-methoxypropanoic acid
CID 103224091
2-(3-ethoxyanilino)-2-phenylacetic acid
CID 103245685
methyl 2-(3-ethoxyphenoxy)propanoate
CID 62338439
2-amino-3-(3-ethoxyphenyl)-3-hydroxypropanoic acid
CID 66204925
2-[(3-ethoxybenzoyl)amino]-2-phenylacetic acid
CID 108801730
2-(4-methoxyphenoxy)-2-phenylacetic acid
CID 13020555
2-(3-ethoxyphenoxy)-1-phenylethanamine
CID 62335579

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxyphenoxy)-2-phenylacetic acid?
The IUPAC name of 2-(3-ethoxyphenoxy)-2-phenylacetic acid (CID 62338438) is 2-(3-ethoxyphenoxy)-2-phenylacetic acid.
What is the SMILES notation for 2-(3-ethoxyphenoxy)-2-phenylacetic acid?
The canonical SMILES for 2-(3-ethoxyphenoxy)-2-phenylacetic acid is CCOc1cccc(OC(C(=O)O)c2ccccc2)c1.
What is the InChIKey of 2-(3-ethoxyphenoxy)-2-phenylacetic acid?
The InChIKey is XBABBHLMSFVGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-2-19-13-9-6-10-14(11-13)20-15(16(17)18)12-7-4-3-5-8-12/h3-11,15H,2H2,1H3,(H,17,18).
What are the key properties of 2-(3-ethoxyphenoxy)-2-phenylacetic acid?
2-(3-ethoxyphenoxy)-2-phenylacetic acid has a molecular weight of 272.30 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxyphenoxy)-2-phenylacetic acid is sourced from PubChem (CID 62338438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).