2-(3-chloro-2-methylphenyl)-2-hydroxyacetic acid

C9H9ClO3 — CID 83441466

IUPAC2-(3-chloro-2-methylphenyl)-2-hydroxyacetic acid
SMILESCc1c(Cl)cccc1C(O)C(=O)O
InChIInChI=1S/C9H9ClO3/c1-5-6(8(11)9(12)13)3-2-4-7(5)10/h2-4,8,11H,1H3,(H,12,13)
InChIKeyPRGHMLBNXPMBFV-UHFFFAOYSA-N
MW200.62 g/mol
LogP1.77
Rot. Bonds2

About 2-(3-chloro-2-methylphenyl)-2-hydroxyacetic acid

2-(3-chloro-2-methylphenyl)-2-hydroxyacetic acid (PubChem CID 83441466) has the molecular formula C9H9ClO3 and a molecular weight of 200.62 g/mol. Its IUPAC name is 2-(3-chloro-2-methylphenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(3-chloro-2-methylphenyl)-2-hydroxyacetic acid
PubChem CID83441466
Molecular FormulaC9H9ClO3
Molecular Weight200.62 g/mol
Exact Mass200.02
IUPAC Name2-(3-chloro-2-methylphenyl)-2-hydroxyacetic acid
SMILESCc1c(Cl)cccc1C(O)C(=O)O
InChIInChI=1S/C9H9ClO3/c1-5-6(8(11)9(12)13)3-2-4-7(5)10/h2-4,8,11H,1H3,(H,12,13)
InChIKeyPRGHMLBNXPMBFV-UHFFFAOYSA-N
XLogP1.77
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.62
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-Chloromandelic acid
CID 10299
3-Chloro-2-methylbenzoic acid
CID 82010
2-Chloro-6-methylbenzoic acid
CID 88870
2-Chloromandelic acid
CID 97720
2,4-Dichloromandelic acid
CID 24198
(-)-2-Chloromandelic acid
CID 2733641
(R)-2-(3-Chlorophenyl)-2-hydroxyacetic acid
CID 2733127
3-Chloromandelic acid
CID 85981
2,4,5-Trichloromandelic acid
CID 151911
(S)-2-(3-Chlorophenyl)-2-hydroxyacetic acid
CID 5324675
(S)-2-Chloromandelic acid
CID 6922874
2,2'-Dichlorobenzilic acid
CID 329060

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-methylphenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(3-chloro-2-methylphenyl)-2-hydroxyacetic acid (CID 83441466) is 2-(3-chloro-2-methylphenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(3-chloro-2-methylphenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(3-chloro-2-methylphenyl)-2-hydroxyacetic acid is Cc1c(Cl)cccc1C(O)C(=O)O.
What is the InChIKey of 2-(3-chloro-2-methylphenyl)-2-hydroxyacetic acid?
The InChIKey is PRGHMLBNXPMBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO3/c1-5-6(8(11)9(12)13)3-2-4-7(5)10/h2-4,8,11H,1H3,(H,12,13).
What are the key properties of 2-(3-chloro-2-methylphenyl)-2-hydroxyacetic acid?
2-(3-chloro-2-methylphenyl)-2-hydroxyacetic acid has a molecular weight of 200.62 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-methylphenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 83441466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).