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

C12H16O4 — CID 71511914

IUPAC(E,2R,3R,4S)-6-phenylhex-5-ene-1,2,3,4-tetrol
SMILESOC[C@@H](O)[C@H](O)[C@@H](O)/C=C/c1ccccc1
InChIInChI=1S/C12H16O4/c13-8-11(15)12(16)10(14)7-6-9-4-2-1-3-5-9/h1-7,10-16H,8H2/b7-6+/t10-,11+,12+/m0/s1
InChIKeyQPMZOKUJAFMCFS-XIVIADRMSA-N
MW224.26 g/mol
LogP-0.23
Rot. Bonds5

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

(E,2R,3R,4S)-6-phenylhex-5-ene-1,2,3,4-tetrol (PubChem CID 71511914) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is (E,2R,3R,4S)-6-phenylhex-5-ene-1,2,3,4-tetrol.

Molecular Properties

Compound Name(E,2R,3R,4S)-6-phenylhex-5-ene-1,2,3,4-tetrol
PubChem CID71511914
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name(E,2R,3R,4S)-6-phenylhex-5-ene-1,2,3,4-tetrol
SMILESOC[C@@H](O)[C@H](O)[C@@H](O)/C=C/c1ccccc1
InChIInChI=1S/C12H16O4/c13-8-11(15)12(16)10(14)7-6-9-4-2-1-3-5-9/h1-7,10-16H,8H2/b7-6+/t10-,11+,12+/m0/s1
InChIKeyQPMZOKUJAFMCFS-XIVIADRMSA-N
XLogP-0.23
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (E,2R,3R,4S)-6-phenylhex-5-ene-1,2,3,4-tetrol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-2-methyl-5-phenylpent-4-ene-1,3-diol
CID 89050087
pentane-1,2,3,4,5-pentol;3-phenylprop-2-enoic acid
CID 175238527
(E)-5-(benzhydrylamino)-7-phenylhept-6-ene-1,2,3,4-tetrol
CID 20656192
(E,2R,3R,4S,5S)-5-(benzylamino)-7-phenylhept-6-ene-1,2,3,4-tetrol
CID 135004799
4,5,6,7,8-pentahydroxy-1-phenyloct-1-en-3-one
CID 174420832
4-phenyl-2-sulfanylbut-3-en-1-ol
CID 57241408
3-phenylprop-2-ene-1,1-diol
CID 54432533
benzaldehyde;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 88742811
(E,2S)-1,1,1-tribromo-4-phenylbut-3-en-2-ol
CID 129409004
(1E,3R,5S,6E)-1,7-diphenylhepta-1,6-diene-3,5-diol
CID 122402908
N-[(E,2S,3R)-1,3-dihydroxy-5-phenylpent-4-en-2-yl]acetamide
CID 10752241
(E,2R)-2-ethenyl-4-phenylbut-3-en-1-ol
CID 134955286

Frequently Asked Questions

What is the IUPAC name of (E,2R,3R,4S)-6-phenylhex-5-ene-1,2,3,4-tetrol?
The IUPAC name of (E,2R,3R,4S)-6-phenylhex-5-ene-1,2,3,4-tetrol (CID 71511914) is (E,2R,3R,4S)-6-phenylhex-5-ene-1,2,3,4-tetrol.
What is the SMILES notation for (E,2R,3R,4S)-6-phenylhex-5-ene-1,2,3,4-tetrol?
The canonical SMILES for (E,2R,3R,4S)-6-phenylhex-5-ene-1,2,3,4-tetrol is OC[C@@H](O)[C@H](O)[C@@H](O)/C=C/c1ccccc1.
What is the InChIKey of (E,2R,3R,4S)-6-phenylhex-5-ene-1,2,3,4-tetrol?
The InChIKey is QPMZOKUJAFMCFS-XIVIADRMSA-N. The full InChI is InChI=1S/C12H16O4/c13-8-11(15)12(16)10(14)7-6-9-4-2-1-3-5-9/h1-7,10-16H,8H2/b7-6+/t10-,11+,12+/m0/s1.
What are the key properties of (E,2R,3R,4S)-6-phenylhex-5-ene-1,2,3,4-tetrol?
(E,2R,3R,4S)-6-phenylhex-5-ene-1,2,3,4-tetrol has a molecular weight of 224.26 g/mol, XLogP of -0.23, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R,3R,4S)-6-phenylhex-5-ene-1,2,3,4-tetrol is sourced from PubChem (CID 71511914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).