(E,2R,3R)-2-phenylhex-4-ene-2,3-diol

C12H16O2 — CID 102188552

IUPAC(E,2R,3R)-2-phenylhex-4-ene-2,3-diol
SMILESC/C=C/[C@@H](O)[C@](C)(O)c1ccccc1
InChIInChI=1S/C12H16O2/c1-3-7-11(13)12(2,14)10-8-5-4-6-9-10/h3-9,11,13-14H,1-2H3/b7-3+/t11-,12-/m1/s1
InChIKeyQGNZEXZMVWDQDU-BKZLJMBUSA-N
MW192.26 g/mol
LogP1.83
Rot. Bonds3

About (E,2R,3R)-2-phenylhex-4-ene-2,3-diol

(E,2R,3R)-2-phenylhex-4-ene-2,3-diol (PubChem CID 102188552) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is (E,2R,3R)-2-phenylhex-4-ene-2,3-diol.

Molecular Properties

Compound Name(E,2R,3R)-2-phenylhex-4-ene-2,3-diol
PubChem CID102188552
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name(E,2R,3R)-2-phenylhex-4-ene-2,3-diol
SMILESC/C=C/[C@@H](O)[C@](C)(O)c1ccccc1
InChIInChI=1S/C12H16O2/c1-3-7-11(13)12(2,14)10-8-5-4-6-9-10/h3-9,11,13-14H,1-2H3/b7-3+/t11-,12-/m1/s1
InChIKeyQGNZEXZMVWDQDU-BKZLJMBUSA-N
XLogP1.83
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.83
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

(E,2S,3S)-3-methyl-2-phenylhex-4-en-2-ol
CID 10583846
3-methyl-2-phenylpentan-2-ol
CID 13024634
3-hydroxy-2-methyl-3-phenylbutanal
CID 140584728
(E,2S,3R)-2,3,5-triphenylpent-4-en-2-ol
CID 10615189
(2S,3S)-2,3-diphenylpent-4-en-2-ol
CID 11651629
(2R,3R)-3-(methylamino)-2-phenylbutan-2-ol
CID 89263226
(2S,3R)-1-diphenylphosphoryl-3-phenylbutane-2,3-diol
CID 10522910
2-fluoro-3-hydroxy-3-phenylbutanoic acid
CID 79367352
(2R,3S)-3-(tert-butylamino)-4-tert-butylimino-2-phenylbutan-2-ol
CID 139135197
methyl (2R)-2-(1-hydroxy-1-phenylethyl)but-3-enoate
CID 134993343
2-phenyl-3-(propan-2-ylamino)butan-2-ol;hydrochloride
CID 117068774
(3S,4R)-3-amino-4-hydroxy-4-phenylpentan-2-one
CID 122674877

Frequently Asked Questions

What is the IUPAC name of (E,2R,3R)-2-phenylhex-4-ene-2,3-diol?
The IUPAC name of (E,2R,3R)-2-phenylhex-4-ene-2,3-diol (CID 102188552) is (E,2R,3R)-2-phenylhex-4-ene-2,3-diol.
What is the SMILES notation for (E,2R,3R)-2-phenylhex-4-ene-2,3-diol?
The canonical SMILES for (E,2R,3R)-2-phenylhex-4-ene-2,3-diol is C/C=C/[C@@H](O)[C@](C)(O)c1ccccc1.
What is the InChIKey of (E,2R,3R)-2-phenylhex-4-ene-2,3-diol?
The InChIKey is QGNZEXZMVWDQDU-BKZLJMBUSA-N. The full InChI is InChI=1S/C12H16O2/c1-3-7-11(13)12(2,14)10-8-5-4-6-9-10/h3-9,11,13-14H,1-2H3/b7-3+/t11-,12-/m1/s1.
What are the key properties of (E,2R,3R)-2-phenylhex-4-ene-2,3-diol?
(E,2R,3R)-2-phenylhex-4-ene-2,3-diol has a molecular weight of 192.26 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R,3R)-2-phenylhex-4-ene-2,3-diol is sourced from PubChem (CID 102188552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).