(3R)-2-chloro-3-hydroxy-3-(4-methoxyphenyl)propanoic acid

C10H11ClO4 — CID 140981337

IUPAC(3R)-2-chloro-3-hydroxy-3-(4-methoxyphenyl)propanoic acid
SMILESCOc1ccc([C@@H](O)C(Cl)C(=O)O)cc1
InChIInChI=1S/C10H11ClO4/c1-15-7-4-2-6(3-5-7)9(12)8(11)10(13)14/h2-5,8-9,12H,1H3,(H,13,14)/t8?,9-/m1/s1
InChIKeyTZRLRGYHUSMMJQ-YGPZHTELSA-N
MW230.65 g/mol
LogP1.42
Rot. Bonds4

About (3R)-2-chloro-3-hydroxy-3-(4-methoxyphenyl)propanoic acid

(3R)-2-chloro-3-hydroxy-3-(4-methoxyphenyl)propanoic acid (PubChem CID 140981337) has the molecular formula C10H11ClO4 and a molecular weight of 230.65 g/mol. Its IUPAC name is (3R)-2-chloro-3-hydroxy-3-(4-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name(3R)-2-chloro-3-hydroxy-3-(4-methoxyphenyl)propanoic acid
PubChem CID140981337
Molecular FormulaC10H11ClO4
Molecular Weight230.65 g/mol
Exact Mass230.03
IUPAC Name(3R)-2-chloro-3-hydroxy-3-(4-methoxyphenyl)propanoic acid
SMILESCOc1ccc([C@@H](O)C(Cl)C(=O)O)cc1
InChIInChI=1S/C10H11ClO4/c1-15-7-4-2-6(3-5-7)9(12)8(11)10(13)14/h2-5,8-9,12H,1H3,(H,13,14)/t8?,9-/m1/s1
InChIKeyTZRLRGYHUSMMJQ-YGPZHTELSA-N
XLogP1.42
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.65
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3R)-2-chloro-3-hydroxy-3-(4-methoxyphenyl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3R)-2-amino-3-hydroxy-3-(4-methoxyphenyl)propanoic acid
CID 10965805
(2R)-2-hydroxy-2-(4-methoxyphenyl)acetic acid
CID 6951708
methyl (2S,3R)-2,3-dihydroxy-3-(4-methoxyphenyl)propanoate
CID 11042413
ethane;2-hydroxy-2-(4-methoxyphenyl)acetic acid
CID 143238154
(2R,3R)-3-hydroxy-3-(4-methoxyphenyl)-2-phenoxypropanoic acid
CID 15011210
chloro-(4-methoxyphenyl)methanol
CID 130923369
2-chloro-1-(4-methoxyphenyl)propane-1,3-diol
CID 10420893
(3R,4R)-4-hydroxy-4-(4-methoxyphenyl)-3-methylbutan-2-one
CID 129403910
(1S)-1-chloro-1-(4-methoxyphenyl)propan-2-one
CID 86318456
CID 131851660
CID 131851660
(2R,3R)-2,3-dihydroxy-3-(4-methoxyphenyl)propanal
CID 124563621
3-hydroxy-3-(4-methoxyphenyl)-2-oxopropanoic acid
CID 70435403

Frequently Asked Questions

What is the IUPAC name of (3R)-2-chloro-3-hydroxy-3-(4-methoxyphenyl)propanoic acid?
The IUPAC name of (3R)-2-chloro-3-hydroxy-3-(4-methoxyphenyl)propanoic acid (CID 140981337) is (3R)-2-chloro-3-hydroxy-3-(4-methoxyphenyl)propanoic acid.
What is the SMILES notation for (3R)-2-chloro-3-hydroxy-3-(4-methoxyphenyl)propanoic acid?
The canonical SMILES for (3R)-2-chloro-3-hydroxy-3-(4-methoxyphenyl)propanoic acid is COc1ccc([C@@H](O)C(Cl)C(=O)O)cc1.
What is the InChIKey of (3R)-2-chloro-3-hydroxy-3-(4-methoxyphenyl)propanoic acid?
The InChIKey is TZRLRGYHUSMMJQ-YGPZHTELSA-N. The full InChI is InChI=1S/C10H11ClO4/c1-15-7-4-2-6(3-5-7)9(12)8(11)10(13)14/h2-5,8-9,12H,1H3,(H,13,14)/t8?,9-/m1/s1.
What are the key properties of (3R)-2-chloro-3-hydroxy-3-(4-methoxyphenyl)propanoic acid?
(3R)-2-chloro-3-hydroxy-3-(4-methoxyphenyl)propanoic acid has a molecular weight of 230.65 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-chloro-3-hydroxy-3-(4-methoxyphenyl)propanoic acid is sourced from PubChem (CID 140981337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).