(2R)-2-hydroxy-6-phenylhex-3-enoic acid

C12H14O3 — CID 67831587

IUPAC(2R)-2-hydroxy-6-phenylhex-3-enoic acid
SMILESO=C(O)[C@H](O)C=CCCc1ccccc1
InChIInChI=1S/C12H14O3/c13-11(12(14)15)9-5-4-8-10-6-2-1-3-7-10/h1-3,5-7,9,11,13H,4,8H2,(H,14,15)/t11-/m1/s1
InChIKeyROHRCTVZAXFHBL-LLVKDONJSA-N
MW206.24 g/mol
LogP1.62
Rot. Bonds5

About (2R)-2-hydroxy-6-phenylhex-3-enoic acid

(2R)-2-hydroxy-6-phenylhex-3-enoic acid (PubChem CID 67831587) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is (2R)-2-hydroxy-6-phenylhex-3-enoic acid.

Molecular Properties

Compound Name(2R)-2-hydroxy-6-phenylhex-3-enoic acid
PubChem CID67831587
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name(2R)-2-hydroxy-6-phenylhex-3-enoic acid
SMILESO=C(O)[C@H](O)C=CCCc1ccccc1
InChIInChI=1S/C12H14O3/c13-11(12(14)15)9-5-4-8-10-6-2-1-3-7-10/h1-3,5-7,9,11,13H,4,8H2,(H,14,15)/t11-/m1/s1
InChIKeyROHRCTVZAXFHBL-LLVKDONJSA-N
XLogP1.62
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(E)-6-phenylhex-3-en-2-yl]pentane-2,4-dione
CID 122393603
[(Z)-5-methylhex-3-enyl]benzene
CID 13403768
3-hydroxy-2-methylidene-7-phenyl-1-tributylsilylhept-4-en-1-one
CID 139609808
(Z)-2-methyl-7-phenylhept-4-en-3-one
CID 101116591
methyl (E,2S)-2-benzyl-6-phenylhex-3-enoate
CID 102176884
(E)-2-benzyl-6-phenylhex-3-en-1-ol
CID 11529105
[(Z)-5,5-dimethoxypent-3-enyl]benzene
CID 102219154
(E)-N-methyl-5-phenylpent-2-enamide
CID 11321418
(E)-1,7-diphenylhept-4-en-3-one;ethane
CID 91159824
pent-3-enylbenzene
CID 519421
(Z)-2-hydroxy-18-phenyloctadec-9-enoic acid
CID 67655950
7-phenylhepta-2,4-dien-1-ol
CID 123622539

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-6-phenylhex-3-enoic acid?
The IUPAC name of (2R)-2-hydroxy-6-phenylhex-3-enoic acid (CID 67831587) is (2R)-2-hydroxy-6-phenylhex-3-enoic acid.
What is the SMILES notation for (2R)-2-hydroxy-6-phenylhex-3-enoic acid?
The canonical SMILES for (2R)-2-hydroxy-6-phenylhex-3-enoic acid is O=C(O)[C@H](O)C=CCCc1ccccc1.
What is the InChIKey of (2R)-2-hydroxy-6-phenylhex-3-enoic acid?
The InChIKey is ROHRCTVZAXFHBL-LLVKDONJSA-N. The full InChI is InChI=1S/C12H14O3/c13-11(12(14)15)9-5-4-8-10-6-2-1-3-7-10/h1-3,5-7,9,11,13H,4,8H2,(H,14,15)/t11-/m1/s1.
What are the key properties of (2R)-2-hydroxy-6-phenylhex-3-enoic acid?
(2R)-2-hydroxy-6-phenylhex-3-enoic acid has a molecular weight of 206.24 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-6-phenylhex-3-enoic acid is sourced from PubChem (CID 67831587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).