(2R,3R)-1-phenylhex-5-ene-2,3-diol

C12H16O2 — CID 15260077

IUPAC(2R,3R)-1-phenylhex-5-ene-2,3-diol
SMILESC=CC[C@@H](O)[C@H](O)Cc1ccccc1
InChIInChI=1S/C12H16O2/c1-2-6-11(13)12(14)9-10-7-4-3-5-8-10/h2-5,7-8,11-14H,1,6,9H2/t11-,12-/m1/s1
InChIKeyXSUFBHYBMJONAO-VXGBXAGGSA-N
MW192.26 g/mol
LogP1.53
Rot. Bonds5

About (2R,3R)-1-phenylhex-5-ene-2,3-diol

(2R,3R)-1-phenylhex-5-ene-2,3-diol (PubChem CID 15260077) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is (2R,3R)-1-phenylhex-5-ene-2,3-diol.

Molecular Properties

Compound Name(2R,3R)-1-phenylhex-5-ene-2,3-diol
PubChem CID15260077
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name(2R,3R)-1-phenylhex-5-ene-2,3-diol
SMILESC=CC[C@@H](O)[C@H](O)Cc1ccccc1
InChIInChI=1S/C12H16O2/c1-2-6-11(13)12(14)9-10-7-4-3-5-8-10/h2-5,7-8,11-14H,1,6,9H2/t11-,12-/m1/s1
InChIKeyXSUFBHYBMJONAO-VXGBXAGGSA-N
XLogP1.53
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.53
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

(2R)-1-phenylpent-4-en-2-ol
CID 11309688
(2S,3S)-3-methyl-1-phenylpent-4-en-2-ol
CID 101389726
[(2R)-2-methylpent-4-enyl]benzene
CID 163762006
(2S)-1,1-diphenylpent-4-en-2-ol
CID 11390776
(2R)-N,N-dimethyl-1-phenylpent-4-en-2-amine
CID 129395248
(2S)-1-phenylhex-5-en-2-ol
CID 102339258
(2R,3S)-2-phenylhex-5-en-3-ol
CID 12633863
(2R)-N,N-dibenzyl-1-phenylpent-4-en-2-amine
CID 162403052
(3S,4R)-5-phenylpentane-1,3,4-triol
CID 118708003
(2R,3S)-2-phenylsulfanylhex-5-en-3-ol
CID 10679903
benzyl N-[(2S,3S)-3-hydroxy-1-phenylhex-5-en-2-yl]carbamate
CID 10087705
1,1-difluoro-3-phenylpropan-2-ol
CID 15085378

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1-phenylhex-5-ene-2,3-diol?
The IUPAC name of (2R,3R)-1-phenylhex-5-ene-2,3-diol (CID 15260077) is (2R,3R)-1-phenylhex-5-ene-2,3-diol.
What is the SMILES notation for (2R,3R)-1-phenylhex-5-ene-2,3-diol?
The canonical SMILES for (2R,3R)-1-phenylhex-5-ene-2,3-diol is C=CC[C@@H](O)[C@H](O)Cc1ccccc1.
What is the InChIKey of (2R,3R)-1-phenylhex-5-ene-2,3-diol?
The InChIKey is XSUFBHYBMJONAO-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H16O2/c1-2-6-11(13)12(14)9-10-7-4-3-5-8-10/h2-5,7-8,11-14H,1,6,9H2/t11-,12-/m1/s1.
What are the key properties of (2R,3R)-1-phenylhex-5-ene-2,3-diol?
(2R,3R)-1-phenylhex-5-ene-2,3-diol has a molecular weight of 192.26 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1-phenylhex-5-ene-2,3-diol is sourced from PubChem (CID 15260077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).