(2S)-3-(4-hydroxyphenyl)-2-methoxypropanoic acid

C10H12O4 — CID 11564639

IUPAC(2S)-3-(4-hydroxyphenyl)-2-methoxypropanoic acid
SMILESCO[C@@H](Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C10H12O4/c1-14-9(10(12)13)6-7-2-4-8(11)5-3-7/h2-5,9,11H,6H2,1H3,(H,12,13)/t9-/m0/s1
InChIKeyFJUACDARCVZYOJ-VIFPVBQESA-N
MW196.20 g/mol
LogP1.03
Rot. Bonds4

About (2S)-3-(4-hydroxyphenyl)-2-methoxypropanoic acid

(2S)-3-(4-hydroxyphenyl)-2-methoxypropanoic acid (PubChem CID 11564639) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is (2S)-3-(4-hydroxyphenyl)-2-methoxypropanoic acid.

Molecular Properties

Compound Name(2S)-3-(4-hydroxyphenyl)-2-methoxypropanoic acid
PubChem CID11564639
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name(2S)-3-(4-hydroxyphenyl)-2-methoxypropanoic acid
SMILESCO[C@@H](Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C10H12O4/c1-14-9(10(12)13)6-7-2-4-8(11)5-3-7/h2-5,9,11H,6H2,1H3,(H,12,13)/t9-/m0/s1
InChIKeyFJUACDARCVZYOJ-VIFPVBQESA-N
XLogP1.03
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Hydroxyphenylacetic acid
CID 127
3-(4-Hydroxyphenyl)propionic acid
CID 10394
Dihydrocaffeic Acid
CID 348154
4-Hydroxyphenylpyruvic Acid
CID 979
4-(4'-Hydroxyphenyl)-2-butanone
CID 21648
(+-)-3-(4-Hydroxyphenyl)lactic acid
CID 9378
Ethyl mandelate
CID 13050
Methoxyphenylacetic acid
CID 107202
(+-)-4-Hydroxymandelic acid
CID 328
Benzenepropanoic acid, 4-hydroxy-, methyl ester
CID 79706
Butyrolactone Ii
CID 10405953
3-(3,4-Dihydroxyphenyl)-2-hydroxypropanoic acid
CID 439435

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(4-hydroxyphenyl)-2-methoxypropanoic acid?
The IUPAC name of (2S)-3-(4-hydroxyphenyl)-2-methoxypropanoic acid (CID 11564639) is (2S)-3-(4-hydroxyphenyl)-2-methoxypropanoic acid.
What is the SMILES notation for (2S)-3-(4-hydroxyphenyl)-2-methoxypropanoic acid?
The canonical SMILES for (2S)-3-(4-hydroxyphenyl)-2-methoxypropanoic acid is CO[C@@H](Cc1ccc(O)cc1)C(=O)O.
What is the InChIKey of (2S)-3-(4-hydroxyphenyl)-2-methoxypropanoic acid?
The InChIKey is FJUACDARCVZYOJ-VIFPVBQESA-N. The full InChI is InChI=1S/C10H12O4/c1-14-9(10(12)13)6-7-2-4-8(11)5-3-7/h2-5,9,11H,6H2,1H3,(H,12,13)/t9-/m0/s1.
What are the key properties of (2S)-3-(4-hydroxyphenyl)-2-methoxypropanoic acid?
(2S)-3-(4-hydroxyphenyl)-2-methoxypropanoic acid has a molecular weight of 196.20 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(4-hydroxyphenyl)-2-methoxypropanoic acid is sourced from PubChem (CID 11564639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).