2-(hydroxymethyl)-3-phenylmethoxypropanoic acid

C11H14O4 — CID 151037448

IUPAC2-(hydroxymethyl)-3-phenylmethoxypropanoic acid
SMILESO=C(O)C(CO)COCc1ccccc1
InChIInChI=1S/C11H14O4/c12-6-10(11(13)14)8-15-7-9-4-2-1-3-5-9/h1-5,10,12H,6-8H2,(H,13,14)
InChIKeyMBJJUYUSKSLSNU-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.90
Rot. Bonds6

About 2-(hydroxymethyl)-3-phenylmethoxypropanoic acid

2-(hydroxymethyl)-3-phenylmethoxypropanoic acid (PubChem CID 151037448) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-(hydroxymethyl)-3-phenylmethoxypropanoic acid.

Molecular Properties

Compound Name2-(hydroxymethyl)-3-phenylmethoxypropanoic acid
PubChem CID151037448
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name2-(hydroxymethyl)-3-phenylmethoxypropanoic acid
SMILESO=C(O)C(CO)COCc1ccccc1
InChIInChI=1S/C11H14O4/c12-6-10(11(13)14)8-15-7-9-4-2-1-3-5-9/h1-5,10,12H,6-8H2,(H,13,14)
InChIKeyMBJJUYUSKSLSNU-UHFFFAOYSA-N
XLogP0.90
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1-carboxy-2-phenylmethoxyethyl)azanide;platinum(2+)
CID 20617400
CID 172760983
CID 172760983
(2S,3R)-3-bromo-4-phenylmethoxybutane-1,2-diol
CID 101113557
2,3-dimethyl-4-phenylmethoxybutanoic acid
CID 85340536
3-amino-4-phenylmethoxybutan-2-one
CID 3355727
2-bromo-3-phenylmethoxypropanoyl chloride
CID 154663472
(2S)-2-phenoxy-3-phenylmethoxypropan-1-ol
CID 22831407
2-phenylmethoxyethane-1,1-diol
CID 59866645
2,2-dibromoethoxymethylbenzene
CID 14668834
3,3,3-trifluoro-2-(phenylmethoxymethyl)propanoic acid
CID 23113141
2-(aminomethyl)-5-methyl-6-phenylmethoxyhexanoic acid
CID 139389936
(2S)-2-(hydroxymethyl)-4-phenylbutanoic acid
CID 124707867

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-3-phenylmethoxypropanoic acid?
The IUPAC name of 2-(hydroxymethyl)-3-phenylmethoxypropanoic acid (CID 151037448) is 2-(hydroxymethyl)-3-phenylmethoxypropanoic acid.
What is the SMILES notation for 2-(hydroxymethyl)-3-phenylmethoxypropanoic acid?
The canonical SMILES for 2-(hydroxymethyl)-3-phenylmethoxypropanoic acid is O=C(O)C(CO)COCc1ccccc1.
What is the InChIKey of 2-(hydroxymethyl)-3-phenylmethoxypropanoic acid?
The InChIKey is MBJJUYUSKSLSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c12-6-10(11(13)14)8-15-7-9-4-2-1-3-5-9/h1-5,10,12H,6-8H2,(H,13,14).
What are the key properties of 2-(hydroxymethyl)-3-phenylmethoxypropanoic acid?
2-(hydroxymethyl)-3-phenylmethoxypropanoic acid has a molecular weight of 210.23 g/mol, XLogP of 0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-3-phenylmethoxypropanoic acid is sourced from PubChem (CID 151037448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).