2-phenyl-2-(3-propan-2-ylphenoxy)acetic acid

C17H18O3 — CID 21063794

IUPAC2-phenyl-2-(3-propan-2-ylphenoxy)acetic acid
SMILESCC(C)c1cccc(OC(C(=O)O)c2ccccc2)c1
InChIInChI=1S/C17H18O3/c1-12(2)14-9-6-10-15(11-14)20-16(17(18)19)13-7-4-3-5-8-13/h3-12,16H,1-2H3,(H,18,19)
InChIKeyUCKNOALUUJJXLS-UHFFFAOYSA-N
MW270.33 g/mol
LogP4.01
Rot. Bonds5

About 2-phenyl-2-(3-propan-2-ylphenoxy)acetic acid

2-phenyl-2-(3-propan-2-ylphenoxy)acetic acid (PubChem CID 21063794) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-phenyl-2-(3-propan-2-ylphenoxy)acetic acid.

Molecular Properties

Compound Name2-phenyl-2-(3-propan-2-ylphenoxy)acetic acid
PubChem CID21063794
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name2-phenyl-2-(3-propan-2-ylphenoxy)acetic acid
SMILESCC(C)c1cccc(OC(C(=O)O)c2ccccc2)c1
InChIInChI=1S/C17H18O3/c1-12(2)14-9-6-10-15(11-14)20-16(17(18)19)13-7-4-3-5-8-13/h3-12,16H,1-2H3,(H,18,19)
InChIKeyUCKNOALUUJJXLS-UHFFFAOYSA-N
XLogP4.01
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(3-bromophenoxy)-2-phenylacetic acid
CID 42181032
2-(3-ethoxyphenoxy)-2-phenylacetic acid
CID 62338438
N-[2-(methylamino)ethyl]-2-phenyl-2-(3-propan-2-ylphenoxy)acetamide
CID 119500862
2-(4-methoxyphenoxy)-2-phenylacetic acid
CID 13020555
N-(4-aminocyclohexyl)-2-phenyl-2-(3-propan-2-ylphenoxy)acetamide
CID 119475379
1-[4-(methylamino)piperidin-1-yl]-2-phenyl-2-(3-propan-2-ylphenoxy)ethanone
CID 119560633
(2R)-2-(4-acetylphenoxy)-2-phenylacetic acid
CID 7062308
2-(4-bromo-3-methylphenoxy)-2-phenylacetic acid
CID 20994318
2-methyl-3-[methyl-[2-(3-propan-2-ylphenoxy)propanoyl]amino]propanoic acid
CID 119228819
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-phenyl-2-(3-propan-2-ylphenoxy)acetamide;hydrochloride
CID 119456064
(2R)-2-(4-fluorophenoxy)-2-phenylacetic acid
CID 42252726
2-(3-propan-2-ylphenoxy)propan-1-ol
CID 82075961

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-(3-propan-2-ylphenoxy)acetic acid?
The IUPAC name of 2-phenyl-2-(3-propan-2-ylphenoxy)acetic acid (CID 21063794) is 2-phenyl-2-(3-propan-2-ylphenoxy)acetic acid.
What is the SMILES notation for 2-phenyl-2-(3-propan-2-ylphenoxy)acetic acid?
The canonical SMILES for 2-phenyl-2-(3-propan-2-ylphenoxy)acetic acid is CC(C)c1cccc(OC(C(=O)O)c2ccccc2)c1.
What is the InChIKey of 2-phenyl-2-(3-propan-2-ylphenoxy)acetic acid?
The InChIKey is UCKNOALUUJJXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-12(2)14-9-6-10-15(11-14)20-16(17(18)19)13-7-4-3-5-8-13/h3-12,16H,1-2H3,(H,18,19).
What are the key properties of 2-phenyl-2-(3-propan-2-ylphenoxy)acetic acid?
2-phenyl-2-(3-propan-2-ylphenoxy)acetic acid has a molecular weight of 270.33 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-(3-propan-2-ylphenoxy)acetic acid is sourced from PubChem (CID 21063794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).