(2R)-2-hydroxy-2-phenylacetic acid;(E)-3-phenylprop-2-enal

C17H16O4 — CID 175262474

IUPAC(2R)-2-hydroxy-2-phenylacetic acid;(E)-3-phenylprop-2-enal
SMILESO=C(O)[C@H](O)c1ccccc1.O=C/C=C/c1ccccc1
InChIInChI=1S/C9H8O.C8H8O3/c10-8-4-7-9-5-2-1-3-6-9;9-7(8(10)11)6-4-2-1-3-5-6/h1-8H;1-5,7,9H,(H,10,11)/b7-4+;/t;7-/m.1/s1
InChIKeyIWOLXIDQBCJCJJ-HVWYIABTSA-N
MW284.31 g/mol
LogP2.70
Rot. Bonds4

About (2R)-2-hydroxy-2-phenylacetic acid;(E)-3-phenylprop-2-enal

(2R)-2-hydroxy-2-phenylacetic acid;(E)-3-phenylprop-2-enal (PubChem CID 175262474) has the molecular formula C17H16O4 and a molecular weight of 284.31 g/mol. Its IUPAC name is (2R)-2-hydroxy-2-phenylacetic acid;(E)-3-phenylprop-2-enal.

Molecular Properties

Compound Name(2R)-2-hydroxy-2-phenylacetic acid;(E)-3-phenylprop-2-enal
PubChem CID175262474
Molecular FormulaC17H16O4
Molecular Weight284.31 g/mol
Exact Mass284.10
IUPAC Name(2R)-2-hydroxy-2-phenylacetic acid;(E)-3-phenylprop-2-enal
SMILESO=C(O)[C@H](O)c1ccccc1.O=C/C=C/c1ccccc1
InChIInChI=1S/C9H8O.C8H8O3/c10-8-4-7-9-5-2-1-3-6-9;9-7(8(10)11)6-4-2-1-3-5-6/h1-8H;1-5,7,9H,(H,10,11)/b7-4+;/t;7-/m.1/s1
InChIKeyIWOLXIDQBCJCJJ-HVWYIABTSA-N
XLogP2.70
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-phenylprop-2-enal;propan-2-ol
CID 158457423
(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;zinc
CID 57473641
(2R)-2-hydroxy-2-phenylacetic acid;hydrate
CID 69001631
alumane;(E)-3-phenylprop-2-enal
CID 173462374
(2S)-2-hydroxy-2-phenylacetic acid;hydrochloride
CID 141322731
(2S)-2-hydroxy-2-phenylacetic acid;hydrate
CID 139987845
azane;2-hydroxy-2-phenylacetic acid
CID 23617102
(2R)-2-hydroxy-2-phenylacetic acid;rhodium
CID 174857137
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 (2R)-2-hydroxy-2-phenylacetic acid;(E)-3-phenylprop-2-enal?
The IUPAC name of (2R)-2-hydroxy-2-phenylacetic acid;(E)-3-phenylprop-2-enal (CID 175262474) is (2R)-2-hydroxy-2-phenylacetic acid;(E)-3-phenylprop-2-enal.
What is the SMILES notation for (2R)-2-hydroxy-2-phenylacetic acid;(E)-3-phenylprop-2-enal?
The canonical SMILES for (2R)-2-hydroxy-2-phenylacetic acid;(E)-3-phenylprop-2-enal is O=C(O)[C@H](O)c1ccccc1.O=C/C=C/c1ccccc1.
What is the InChIKey of (2R)-2-hydroxy-2-phenylacetic acid;(E)-3-phenylprop-2-enal?
The InChIKey is IWOLXIDQBCJCJJ-HVWYIABTSA-N. The full InChI is InChI=1S/C9H8O.C8H8O3/c10-8-4-7-9-5-2-1-3-6-9;9-7(8(10)11)6-4-2-1-3-5-6/h1-8H;1-5,7,9H,(H,10,11)/b7-4+;/t;7-/m.1/s1.
What are the key properties of (2R)-2-hydroxy-2-phenylacetic acid;(E)-3-phenylprop-2-enal?
(2R)-2-hydroxy-2-phenylacetic acid;(E)-3-phenylprop-2-enal has a molecular weight of 284.31 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-2-phenylacetic acid;(E)-3-phenylprop-2-enal is sourced from PubChem (CID 175262474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).