2-(4-chlorophenyl)-2-cyclopentyl-2-hydroxyacetic acid

C13H15ClO3 — CID 68689333

IUPAC2-(4-chlorophenyl)-2-cyclopentyl-2-hydroxyacetic acid
SMILESO=C(O)C(O)(c1ccc(Cl)cc1)C1CCCC1
InChIInChI=1S/C13H15ClO3/c14-11-7-5-10(6-8-11)13(17,12(15)16)9-3-1-2-4-9/h5-9,17H,1-4H2,(H,15,16)
InChIKeyTYTSGJDEVCAFHU-UHFFFAOYSA-N
MW254.71 g/mol
LogP2.80
Rot. Bonds3

About 2-(4-chlorophenyl)-2-cyclopentyl-2-hydroxyacetic acid

2-(4-chlorophenyl)-2-cyclopentyl-2-hydroxyacetic acid (PubChem CID 68689333) has the molecular formula C13H15ClO3 and a molecular weight of 254.71 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-cyclopentyl-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-cyclopentyl-2-hydroxyacetic acid
PubChem CID68689333
Molecular FormulaC13H15ClO3
Molecular Weight254.71 g/mol
Exact Mass254.07
IUPAC Name2-(4-chlorophenyl)-2-cyclopentyl-2-hydroxyacetic acid
SMILESO=C(O)C(O)(c1ccc(Cl)cc1)C1CCCC1
InChIInChI=1S/C13H15ClO3/c14-11-7-5-10(6-8-11)13(17,12(15)16)9-3-1-2-4-9/h5-9,17H,1-4H2,(H,15,16)
InChIKeyTYTSGJDEVCAFHU-UHFFFAOYSA-N
XLogP2.80
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.71
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-cyclopentyl-2-hydroxyacetic acid?
The IUPAC name of 2-(4-chlorophenyl)-2-cyclopentyl-2-hydroxyacetic acid (CID 68689333) is 2-(4-chlorophenyl)-2-cyclopentyl-2-hydroxyacetic acid.
What is the SMILES notation for 2-(4-chlorophenyl)-2-cyclopentyl-2-hydroxyacetic acid?
The canonical SMILES for 2-(4-chlorophenyl)-2-cyclopentyl-2-hydroxyacetic acid is O=C(O)C(O)(c1ccc(Cl)cc1)C1CCCC1.
What is the InChIKey of 2-(4-chlorophenyl)-2-cyclopentyl-2-hydroxyacetic acid?
The InChIKey is TYTSGJDEVCAFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClO3/c14-11-7-5-10(6-8-11)13(17,12(15)16)9-3-1-2-4-9/h5-9,17H,1-4H2,(H,15,16).
What are the key properties of 2-(4-chlorophenyl)-2-cyclopentyl-2-hydroxyacetic acid?
2-(4-chlorophenyl)-2-cyclopentyl-2-hydroxyacetic acid has a molecular weight of 254.71 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-cyclopentyl-2-hydroxyacetic acid is sourced from PubChem (CID 68689333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).