(2R)-2-(4-fluoro-2-methylphenyl)-2-hydroxyacetic acid

C9H9FO3 — CID 131387020

IUPAC(2R)-2-(4-fluoro-2-methylphenyl)-2-hydroxyacetic acid
SMILESCc1cc(F)ccc1[C@@H](O)C(=O)O
InChIInChI=1S/C9H9FO3/c1-5-4-6(10)2-3-7(5)8(11)9(12)13/h2-4,8,11H,1H3,(H,12,13)/t8-/m1/s1
InChIKeySYTCPNHRLOCIBY-MRVPVSSYSA-N
MW184.17 g/mol
LogP1.25
Rot. Bonds2

About (2R)-2-(4-fluoro-2-methylphenyl)-2-hydroxyacetic acid

(2R)-2-(4-fluoro-2-methylphenyl)-2-hydroxyacetic acid (PubChem CID 131387020) has the molecular formula C9H9FO3 and a molecular weight of 184.17 g/mol. Its IUPAC name is (2R)-2-(4-fluoro-2-methylphenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name(2R)-2-(4-fluoro-2-methylphenyl)-2-hydroxyacetic acid
PubChem CID131387020
Molecular FormulaC9H9FO3
Molecular Weight184.17 g/mol
Exact Mass184.05
IUPAC Name(2R)-2-(4-fluoro-2-methylphenyl)-2-hydroxyacetic acid
SMILESCc1cc(F)ccc1[C@@H](O)C(=O)O
InChIInChI=1S/C9H9FO3/c1-5-4-6(10)2-3-7(5)8(11)9(12)13/h2-4,8,11H,1H3,(H,12,13)/t8-/m1/s1
InChIKeySYTCPNHRLOCIBY-MRVPVSSYSA-N
XLogP1.25
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (2S)-2-(4-fluoro-2-methylphenyl)-2-hydroxyacetate
CID 129367520
2-(4-fluoro-2-hydroxyphenyl)-2-hydroxyacetic acid
CID 117280331
bis(4-fluoro-2-methylphenyl)methanol
CID 14371387
2-[(4-fluoro-2-methylphenyl)-hydroxymethyl]butanoic acid
CID 62398019
2-(2-bromo-3-fluoro-4-methylphenyl)-2-hydroxyacetic acid
CID 117411611
2-anilino-2-(4-fluoro-2-methylphenyl)acetic acid
CID 62136008
(1S)-1-(4-fluoro-2-methylphenyl)propan-1-ol
CID 79002158
ethyl 2-[(4-fluoro-2-methylphenyl)-hydroxymethyl]pentanoate
CID 83043681
2-(2-fluoro-5-hydroxy-3-methylphenyl)-2-hydroxyacetic acid
CID 117289043
2-(3,4-difluoro-2-methylphenyl)-2-hydroxyacetic acid
CID 131032215
sodium (4-fluoro-2-methylphenyl)-hydroxymethanesulfonate
CID 103574292
2-(5-bromo-2-fluoro-3-methylphenyl)-2-hydroxyacetic acid
CID 83403424

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluoro-2-methylphenyl)-2-hydroxyacetic acid?
The IUPAC name of (2R)-2-(4-fluoro-2-methylphenyl)-2-hydroxyacetic acid (CID 131387020) is (2R)-2-(4-fluoro-2-methylphenyl)-2-hydroxyacetic acid.
What is the SMILES notation for (2R)-2-(4-fluoro-2-methylphenyl)-2-hydroxyacetic acid?
The canonical SMILES for (2R)-2-(4-fluoro-2-methylphenyl)-2-hydroxyacetic acid is Cc1cc(F)ccc1[C@@H](O)C(=O)O.
What is the InChIKey of (2R)-2-(4-fluoro-2-methylphenyl)-2-hydroxyacetic acid?
The InChIKey is SYTCPNHRLOCIBY-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H9FO3/c1-5-4-6(10)2-3-7(5)8(11)9(12)13/h2-4,8,11H,1H3,(H,12,13)/t8-/m1/s1.
What are the key properties of (2R)-2-(4-fluoro-2-methylphenyl)-2-hydroxyacetic acid?
(2R)-2-(4-fluoro-2-methylphenyl)-2-hydroxyacetic acid has a molecular weight of 184.17 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-fluoro-2-methylphenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 131387020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).