cyclopentanecarbaldehyde;2-hydroxy-2-phenylacetic acid

C14H18O4 — CID 87781655

IUPACcyclopentanecarbaldehyde;2-hydroxy-2-phenylacetic acid
SMILESO=C(O)C(O)c1ccccc1.O=CC1CCCC1
InChIInChI=1S/C8H8O3.C6H10O/c9-7(8(10)11)6-4-2-1-3-5-6;7-5-6-3-1-2-4-6/h1-5,7,9H,(H,10,11);5-6H,1-4H2
InChIKeyYTRHBGOBMBZCQL-UHFFFAOYSA-N
MW250.29 g/mol
LogP2.18
Rot. Bonds3

About cyclopentanecarbaldehyde;2-hydroxy-2-phenylacetic acid

cyclopentanecarbaldehyde;2-hydroxy-2-phenylacetic acid (PubChem CID 87781655) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is cyclopentanecarbaldehyde;2-hydroxy-2-phenylacetic acid.

Molecular Properties

Compound Namecyclopentanecarbaldehyde;2-hydroxy-2-phenylacetic acid
PubChem CID87781655
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Namecyclopentanecarbaldehyde;2-hydroxy-2-phenylacetic acid
SMILESO=C(O)C(O)c1ccccc1.O=CC1CCCC1
InChIInChI=1S/C8H8O3.C6H10O/c9-7(8(10)11)6-4-2-1-3-5-6;7-5-6-3-1-2-4-6/h1-5,7,9H,(H,10,11);5-6H,1-4H2
InChIKeyYTRHBGOBMBZCQL-UHFFFAOYSA-N
XLogP2.18
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-hydroxy-2-phenylacetic acid
CID 139040954
2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-2-hydroxyacetic acid
CID 11019130
(2R)-2-hydroxy-2-phenylacetic acid;hydrate
CID 69001631
(2S)-2-hydroxy-2-phenylacetic acid;hydrate
CID 139987845
(2S)-2-hydroxy-2-phenylacetic acid;hydrochloride
CID 141322731
azane;2-hydroxy-2-phenylacetic acid
CID 23617102
(2R)-2-hydroxy-2-phenylacetic acid;rhodium
CID 174857137
(2R)-2-hydroxy-2-phenylacetic acid;zinc
CID 57473641
(Z,1S)-3-cyclohexyl-2-methyl-1-phenylprop-2-en-1-ol
CID 121450876
barium(2+);hydride;2-hydroxy-2-phenylacetic acid
CID 172999796
azane;(2R)-2-hydroxy-2-phenylacetic acid;hydrate
CID 70117102
magnesium;hydride;2-hydroxy-2-phenylacetic acid
CID 173047691

Frequently Asked Questions

What is the IUPAC name of cyclopentanecarbaldehyde;2-hydroxy-2-phenylacetic acid?
The IUPAC name of cyclopentanecarbaldehyde;2-hydroxy-2-phenylacetic acid (CID 87781655) is cyclopentanecarbaldehyde;2-hydroxy-2-phenylacetic acid.
What is the SMILES notation for cyclopentanecarbaldehyde;2-hydroxy-2-phenylacetic acid?
The canonical SMILES for cyclopentanecarbaldehyde;2-hydroxy-2-phenylacetic acid is O=C(O)C(O)c1ccccc1.O=CC1CCCC1.
What is the InChIKey of cyclopentanecarbaldehyde;2-hydroxy-2-phenylacetic acid?
The InChIKey is YTRHBGOBMBZCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3.C6H10O/c9-7(8(10)11)6-4-2-1-3-5-6;7-5-6-3-1-2-4-6/h1-5,7,9H,(H,10,11);5-6H,1-4H2.
What are the key properties of cyclopentanecarbaldehyde;2-hydroxy-2-phenylacetic acid?
cyclopentanecarbaldehyde;2-hydroxy-2-phenylacetic acid has a molecular weight of 250.29 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentanecarbaldehyde;2-hydroxy-2-phenylacetic acid is sourced from PubChem (CID 87781655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).