2-[(2R)-2-phenylpropoxy]acetic acid

C11H14O3 — CID 124585460

IUPAC2-[(2R)-2-phenylpropoxy]acetic acid
SMILESC[C@@H](COCC(=O)O)c1ccccc1
InChIInChI=1S/C11H14O3/c1-9(7-14-8-11(12)13)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,12,13)/t9-/m0/s1
InChIKeyUSYWNHKVZFGJLS-VIFPVBQESA-N
MW194.23 g/mol
LogP1.89
Rot. Bonds5

About 2-[(2R)-2-phenylpropoxy]acetic acid

2-[(2R)-2-phenylpropoxy]acetic acid (PubChem CID 124585460) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-[(2R)-2-phenylpropoxy]acetic acid.

Molecular Properties

Compound Name2-[(2R)-2-phenylpropoxy]acetic acid
PubChem CID124585460
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name2-[(2R)-2-phenylpropoxy]acetic acid
SMILESC[C@@H](COCC(=O)O)c1ccccc1
InChIInChI=1S/C11H14O3/c1-9(7-14-8-11(12)13)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,12,13)/t9-/m0/s1
InChIKeyUSYWNHKVZFGJLS-VIFPVBQESA-N
XLogP1.89
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenylpropyl 2-methylpropanoate
CID 576240
2-[(2S)-2-phenylpropoxy]ethanol
CID 146643647
[(2S)-2-phenylpropyl] acetate
CID 10261650
[(2R)-2-phenylpropyl] carbamate
CID 175384997
[(2R)-2-phenylpropyl] benzoate
CID 101021839
2-phenylpropyl 2-chloro-2-oxoacetate
CID 57296608
bis(2-phenylpropoxy)methanol
CID 89428538
[(2S)-1-propan-2-yloxypropan-2-yl]benzene
CID 157034832
1-methoxypropan-2-ylbenzene;uranium
CID 145056385
bis(2-aminoacetic acid);3-phenylbutanoic acid
CID 19068405
1-octoxypropan-2-ylbenzene
CID 77473849
2-(3-methyl-2-propan-2-ylbutoxy)acetic acid
CID 87847477

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-phenylpropoxy]acetic acid?
The IUPAC name of 2-[(2R)-2-phenylpropoxy]acetic acid (CID 124585460) is 2-[(2R)-2-phenylpropoxy]acetic acid.
What is the SMILES notation for 2-[(2R)-2-phenylpropoxy]acetic acid?
The canonical SMILES for 2-[(2R)-2-phenylpropoxy]acetic acid is C[C@@H](COCC(=O)O)c1ccccc1.
What is the InChIKey of 2-[(2R)-2-phenylpropoxy]acetic acid?
The InChIKey is USYWNHKVZFGJLS-VIFPVBQESA-N. The full InChI is InChI=1S/C11H14O3/c1-9(7-14-8-11(12)13)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,12,13)/t9-/m0/s1.
What are the key properties of 2-[(2R)-2-phenylpropoxy]acetic acid?
2-[(2R)-2-phenylpropoxy]acetic acid has a molecular weight of 194.23 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-phenylpropoxy]acetic acid is sourced from PubChem (CID 124585460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).