(2R)-2-(3-formylphenoxy)propanoic acid

C10H10O4 — CID 907308

IUPAC(2R)-2-(3-formylphenoxy)propanoic acid
SMILESC[C@@H](Oc1cccc(C=O)c1)C(=O)O
InChIInChI=1S/C10H10O4/c1-7(10(12)13)14-9-4-2-3-8(5-9)6-11/h2-7H,1H3,(H,12,13)/t7-/m1/s1
InChIKeyRQNVJMDOWVHJHD-SSDOTTSWSA-N
MW194.19 g/mol
LogP1.35
Rot. Bonds4

About (2R)-2-(3-formylphenoxy)propanoic acid

(2R)-2-(3-formylphenoxy)propanoic acid (PubChem CID 907308) has the molecular formula C10H10O4 and a molecular weight of 194.19 g/mol. Its IUPAC name is (2R)-2-(3-formylphenoxy)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(3-formylphenoxy)propanoic acid
PubChem CID907308
Molecular FormulaC10H10O4
Molecular Weight194.19 g/mol
Exact Mass194.06
IUPAC Name(2R)-2-(3-formylphenoxy)propanoic acid
SMILESC[C@@H](Oc1cccc(C=O)c1)C(=O)O
InChIInChI=1S/C10H10O4/c1-7(10(12)13)14-9-4-2-3-8(5-9)6-11/h2-7H,1H3,(H,12,13)/t7-/m1/s1
InChIKeyRQNVJMDOWVHJHD-SSDOTTSWSA-N
XLogP1.35
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-[3-(2-carboxyethenyl)phenoxy]propanoic acid
CID 76914386
3-[1-(azepan-1-yl)-1-oxopropan-2-yl]oxybenzaldehyde
CID 43086526
2-phenoxypropanoic acid;hydrofluoride
CID 161153787
2-(3-formylphenoxy)-N-pentan-2-ylpropanamide
CID 43112275
sodium;hydride;2-phenoxypropanoic acid
CID 174562261
potassium;hydride;2-phenoxypropanoic acid
CID 174805355
(3-formylphenyl) (2S)-2-chloropropanoate
CID 10998344
2-[3-(dimethylamino)phenoxy]propanoic acid
CID 22683634
(2S)-2-(3-ethylphenoxy)propanoic acid
CID 10845483
2-[3-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]propanoic acid
CID 43829040
(2R)-2-(2-fluoro-4-formylphenoxy)propanoic acid
CID 107685172
(3-formylphenyl) 4-propan-2-yloxybenzoate
CID 23011947

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-formylphenoxy)propanoic acid?
The IUPAC name of (2R)-2-(3-formylphenoxy)propanoic acid (CID 907308) is (2R)-2-(3-formylphenoxy)propanoic acid.
What is the SMILES notation for (2R)-2-(3-formylphenoxy)propanoic acid?
The canonical SMILES for (2R)-2-(3-formylphenoxy)propanoic acid is C[C@@H](Oc1cccc(C=O)c1)C(=O)O.
What is the InChIKey of (2R)-2-(3-formylphenoxy)propanoic acid?
The InChIKey is RQNVJMDOWVHJHD-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H10O4/c1-7(10(12)13)14-9-4-2-3-8(5-9)6-11/h2-7H,1H3,(H,12,13)/t7-/m1/s1.
What are the key properties of (2R)-2-(3-formylphenoxy)propanoic acid?
(2R)-2-(3-formylphenoxy)propanoic acid has a molecular weight of 194.19 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-formylphenoxy)propanoic acid is sourced from PubChem (CID 907308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).