3-(4-chloro-2-methylphenyl)-3-hydroxypropanoic acid

C10H11ClO3 — CID 104880183

IUPAC3-(4-chloro-2-methylphenyl)-3-hydroxypropanoic acid
SMILESCc1cc(Cl)ccc1C(O)CC(=O)O
InChIInChI=1S/C10H11ClO3/c1-6-4-7(11)2-3-8(6)9(12)5-10(13)14/h2-4,9,12H,5H2,1H3,(H,13,14)
InChIKeyNAWIWDODOFZGFH-UHFFFAOYSA-N
MW214.65 g/mol
LogP2.16
Rot. Bonds3

About 3-(4-chloro-2-methylphenyl)-3-hydroxypropanoic acid

3-(4-chloro-2-methylphenyl)-3-hydroxypropanoic acid (PubChem CID 104880183) has the molecular formula C10H11ClO3 and a molecular weight of 214.65 g/mol. Its IUPAC name is 3-(4-chloro-2-methylphenyl)-3-hydroxypropanoic acid.

Molecular Properties

Compound Name3-(4-chloro-2-methylphenyl)-3-hydroxypropanoic acid
PubChem CID104880183
Molecular FormulaC10H11ClO3
Molecular Weight214.65 g/mol
Exact Mass214.04
IUPAC Name3-(4-chloro-2-methylphenyl)-3-hydroxypropanoic acid
SMILESCc1cc(Cl)ccc1C(O)CC(=O)O
InChIInChI=1S/C10H11ClO3/c1-6-4-7(11)2-3-8(6)9(12)5-10(13)14/h2-4,9,12H,5H2,1H3,(H,13,14)
InChIKeyNAWIWDODOFZGFH-UHFFFAOYSA-N
XLogP2.16
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chloro-2-methylphenyl)pentanedioic acid
CID 66759290
(3S)-3-(4-chloro-2-methoxyphenyl)-3-hydroxypropanoic acid
CID 96804173
1-(4-chloro-2-methylphenyl)but-3-en-1-ol
CID 2757691
3-chloro-3-(5-chloro-2-methylphenyl)propanoic acid
CID 82366837
4-chloro-2-methyl-1-propan-2-ylbenzene;hydrogen peroxide
CID 175483234
5-(2,4-dichlorophenyl)-5-hydroxy-3-methylpentanoic acid
CID 62942590
1-(4-chloro-2-methylphenyl)-2-(3-methylphenyl)ethanol
CID 114028154
4-(4-chloro-2-fluorophenyl)-4-hydroxy-3-methylbutanoic acid
CID 114859596
(3R)-3-(2,4-dichlorophenyl)-5-methoxy-5-oxopentanoic acid
CID 102173737
3-(4-chloro-2-methylphenoxy)-4-oxobutanoic acid
CID 89113323
4-(2-amino-4-chlorophenyl)-3,4-dihydroxybutanoic acid
CID 171877376
(1R,2R)-1-amino-1-(4-chloro-2-methylphenyl)propan-2-ol
CID 130610740

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-methylphenyl)-3-hydroxypropanoic acid?
The IUPAC name of 3-(4-chloro-2-methylphenyl)-3-hydroxypropanoic acid (CID 104880183) is 3-(4-chloro-2-methylphenyl)-3-hydroxypropanoic acid.
What is the SMILES notation for 3-(4-chloro-2-methylphenyl)-3-hydroxypropanoic acid?
The canonical SMILES for 3-(4-chloro-2-methylphenyl)-3-hydroxypropanoic acid is Cc1cc(Cl)ccc1C(O)CC(=O)O.
What is the InChIKey of 3-(4-chloro-2-methylphenyl)-3-hydroxypropanoic acid?
The InChIKey is NAWIWDODOFZGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO3/c1-6-4-7(11)2-3-8(6)9(12)5-10(13)14/h2-4,9,12H,5H2,1H3,(H,13,14).
What are the key properties of 3-(4-chloro-2-methylphenyl)-3-hydroxypropanoic acid?
3-(4-chloro-2-methylphenyl)-3-hydroxypropanoic acid has a molecular weight of 214.65 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-methylphenyl)-3-hydroxypropanoic acid is sourced from PubChem (CID 104880183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).