2-phenylmethoxybutanoic acid

C11H14O3 — CID 11816388

IUPAC2-phenylmethoxybutanoic acid
SMILESCCC(OCc1ccccc1)C(=O)O
InChIInChI=1S/C11H14O3/c1-2-10(11(12)13)14-8-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H,12,13)
InChIKeyHNLVMIYYKOKWEH-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.07
Rot. Bonds5

About 2-phenylmethoxybutanoic acid

2-phenylmethoxybutanoic acid (PubChem CID 11816388) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-phenylmethoxybutanoic acid.

Molecular Properties

Compound Name2-phenylmethoxybutanoic acid
PubChem CID11816388
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name2-phenylmethoxybutanoic acid
SMILESCCC(OCc1ccccc1)C(=O)O
InChIInChI=1S/C11H14O3/c1-2-10(11(12)13)14-8-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H,12,13)
InChIKeyHNLVMIYYKOKWEH-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-phenylmethoxyoctadecanoic acid
CID 102498485
2-phenylmethoxycarbonyloxybutanoic acid
CID 126720889
(2S)-1-phenyl-2-phenylmethoxypentan-3-one
CID 11807696
5-hydroxy-2-phenylmethoxypentanoic acid
CID 141073018
2-[2-(benzylamino)ethoxy]butanoic acid
CID 82353059
(2S)-2-(2-phenylacetyl)oxybutanoic acid
CID 124585457
(3S)-3-phenylmethoxypentanoic acid
CID 57355663
5-hydroxy-2-phenylmethoxyoctadecanoic acid
CID 101300015
2-ethoxy-3-phenylpropanoic acid
CID 54403311
(3R)-5-methyl-3-phenylmethoxyhexan-2-one
CID 11042263
(2-nitro-1-phenylmethoxybutoxy)methylbenzene
CID 134937850
methyl (2S)-3-hydroxy-2-phenylmethoxypropanoate
CID 12965597

Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxybutanoic acid?
The IUPAC name of 2-phenylmethoxybutanoic acid (CID 11816388) is 2-phenylmethoxybutanoic acid.
What is the SMILES notation for 2-phenylmethoxybutanoic acid?
The canonical SMILES for 2-phenylmethoxybutanoic acid is CCC(OCc1ccccc1)C(=O)O.
What is the InChIKey of 2-phenylmethoxybutanoic acid?
The InChIKey is HNLVMIYYKOKWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-2-10(11(12)13)14-8-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H,12,13).
What are the key properties of 2-phenylmethoxybutanoic acid?
2-phenylmethoxybutanoic acid has a molecular weight of 194.23 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxybutanoic acid is sourced from PubChem (CID 11816388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).