(2R)-2-hydroxy-2-(1-hydroxycyclohexyl)-2-phenylacetic acid

C14H18O4 — CID 92524264

IUPAC(2R)-2-hydroxy-2-(1-hydroxycyclohexyl)-2-phenylacetic acid
SMILESO=C(O)[C@@](O)(c1ccccc1)C1(O)CCCCC1
InChIInChI=1S/C14H18O4/c15-12(16)14(18,11-7-3-1-4-8-11)13(17)9-5-2-6-10-13/h1,3-4,7-8,17-18H,2,5-6,9-10H2,(H,15,16)/t14-/m0/s1
InChIKeyJHSGNXKLHOYLKC-AWEZNQCLSA-N
MW250.29 g/mol
LogP1.65
Rot. Bonds3

About (2R)-2-hydroxy-2-(1-hydroxycyclohexyl)-2-phenylacetic acid

(2R)-2-hydroxy-2-(1-hydroxycyclohexyl)-2-phenylacetic acid (PubChem CID 92524264) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is (2R)-2-hydroxy-2-(1-hydroxycyclohexyl)-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-hydroxy-2-(1-hydroxycyclohexyl)-2-phenylacetic acid
PubChem CID92524264
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name(2R)-2-hydroxy-2-(1-hydroxycyclohexyl)-2-phenylacetic acid
SMILESO=C(O)[C@@](O)(c1ccccc1)C1(O)CCCCC1
InChIInChI=1S/C14H18O4/c15-12(16)14(18,11-7-3-1-4-8-11)13(17)9-5-2-6-10-13/h1,3-4,7-8,17-18H,2,5-6,9-10H2,(H,15,16)/t14-/m0/s1
InChIKeyJHSGNXKLHOYLKC-AWEZNQCLSA-N
XLogP1.65
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-2-(1-hydroxycyclohexyl)-2-phenylacetic acid?
The IUPAC name of (2R)-2-hydroxy-2-(1-hydroxycyclohexyl)-2-phenylacetic acid (CID 92524264) is (2R)-2-hydroxy-2-(1-hydroxycyclohexyl)-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-hydroxy-2-(1-hydroxycyclohexyl)-2-phenylacetic acid?
The canonical SMILES for (2R)-2-hydroxy-2-(1-hydroxycyclohexyl)-2-phenylacetic acid is O=C(O)[C@@](O)(c1ccccc1)C1(O)CCCCC1.
What is the InChIKey of (2R)-2-hydroxy-2-(1-hydroxycyclohexyl)-2-phenylacetic acid?
The InChIKey is JHSGNXKLHOYLKC-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H18O4/c15-12(16)14(18,11-7-3-1-4-8-11)13(17)9-5-2-6-10-13/h1,3-4,7-8,17-18H,2,5-6,9-10H2,(H,15,16)/t14-/m0/s1.
What are the key properties of (2R)-2-hydroxy-2-(1-hydroxycyclohexyl)-2-phenylacetic acid?
(2R)-2-hydroxy-2-(1-hydroxycyclohexyl)-2-phenylacetic acid has a molecular weight of 250.29 g/mol, XLogP of 1.65, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-2-(1-hydroxycyclohexyl)-2-phenylacetic acid is sourced from PubChem (CID 92524264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).