(2R,3S,4R)-6-phenylhex-5-ene-1,2,3,4,5-pentol

C12H16O5 — CID 66843788

IUPAC(2R,3S,4R)-6-phenylhex-5-ene-1,2,3,4,5-pentol
SMILESOC[C@@H](O)[C@H](O)[C@@H](O)C(O)=Cc1ccccc1
InChIInChI=1S/C12H16O5/c13-7-10(15)12(17)11(16)9(14)6-8-4-2-1-3-5-8/h1-6,10-17H,7H2/t10-,11+,12+/m1/s1
InChIKeyVKFWQGFYGLIANZ-WOPDTQHZSA-N
MW240.25 g/mol
LogP-0.34
Rot. Bonds5

About (2R,3S,4R)-6-phenylhex-5-ene-1,2,3,4,5-pentol

(2R,3S,4R)-6-phenylhex-5-ene-1,2,3,4,5-pentol (PubChem CID 66843788) has the molecular formula C12H16O5 and a molecular weight of 240.25 g/mol. Its IUPAC name is (2R,3S,4R)-6-phenylhex-5-ene-1,2,3,4,5-pentol.

Molecular Properties

Compound Name(2R,3S,4R)-6-phenylhex-5-ene-1,2,3,4,5-pentol
PubChem CID66843788
Molecular FormulaC12H16O5
Molecular Weight240.25 g/mol
Exact Mass240.10
IUPAC Name(2R,3S,4R)-6-phenylhex-5-ene-1,2,3,4,5-pentol
SMILESOC[C@@H](O)[C@H](O)[C@@H](O)C(O)=Cc1ccccc1
InChIInChI=1S/C12H16O5/c13-7-10(15)12(17)11(16)9(14)6-8-4-2-1-3-5-8/h1-6,10-17H,7H2/t10-,11+,12+/m1/s1
InChIKeyVKFWQGFYGLIANZ-WOPDTQHZSA-N
XLogP-0.34
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 5-0.34
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R)-6-phenylhex-5-ene-1,2,3,4,5-pentol?
The IUPAC name of (2R,3S,4R)-6-phenylhex-5-ene-1,2,3,4,5-pentol (CID 66843788) is (2R,3S,4R)-6-phenylhex-5-ene-1,2,3,4,5-pentol.
What is the SMILES notation for (2R,3S,4R)-6-phenylhex-5-ene-1,2,3,4,5-pentol?
The canonical SMILES for (2R,3S,4R)-6-phenylhex-5-ene-1,2,3,4,5-pentol is OC[C@@H](O)[C@H](O)[C@@H](O)C(O)=Cc1ccccc1.
What is the InChIKey of (2R,3S,4R)-6-phenylhex-5-ene-1,2,3,4,5-pentol?
The InChIKey is VKFWQGFYGLIANZ-WOPDTQHZSA-N. The full InChI is InChI=1S/C12H16O5/c13-7-10(15)12(17)11(16)9(14)6-8-4-2-1-3-5-8/h1-6,10-17H,7H2/t10-,11+,12+/m1/s1.
What are the key properties of (2R,3S,4R)-6-phenylhex-5-ene-1,2,3,4,5-pentol?
(2R,3S,4R)-6-phenylhex-5-ene-1,2,3,4,5-pentol has a molecular weight of 240.25 g/mol, XLogP of -0.34, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R)-6-phenylhex-5-ene-1,2,3,4,5-pentol is sourced from PubChem (CID 66843788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).