(2R,3R)-3,5-bis(4-hydroxyphenyl)pent-4-ene-1,2-diol

C17H18O4 — CID 162929249

IUPAC(2R,3R)-3,5-bis(4-hydroxyphenyl)pent-4-ene-1,2-diol
SMILESOC[C@H](O)[C@H](C=Cc1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C17H18O4/c18-11-17(21)16(13-4-8-15(20)9-5-13)10-3-12-1-6-14(19)7-2-12/h1-10,16-21H,11H2/t16-,17+/m1/s1
InChIKeyDVUXXXYVVWRAIA-SJORKVTESA-N
MW286.33 g/mol
LogP2.25
Rot. Bonds5

About (2R,3R)-3,5-bis(4-hydroxyphenyl)pent-4-ene-1,2-diol

(2R,3R)-3,5-bis(4-hydroxyphenyl)pent-4-ene-1,2-diol (PubChem CID 162929249) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is (2R,3R)-3,5-bis(4-hydroxyphenyl)pent-4-ene-1,2-diol.

Molecular Properties

Compound Name(2R,3R)-3,5-bis(4-hydroxyphenyl)pent-4-ene-1,2-diol
PubChem CID162929249
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name(2R,3R)-3,5-bis(4-hydroxyphenyl)pent-4-ene-1,2-diol
SMILESOC[C@H](O)[C@H](C=Cc1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C17H18O4/c18-11-17(21)16(13-4-8-15(20)9-5-13)10-3-12-1-6-14(19)7-2-12/h1-10,16-21H,11H2/t16-,17+/m1/s1
InChIKeyDVUXXXYVVWRAIA-SJORKVTESA-N
XLogP2.25
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-3,5-bis(4-hydroxyphenyl)pent-4-ene-1,2-diol
CID 91558064
(E,2S,3S)-3,5-bis(4-hydroxyphenyl)pent-4-ene-1,2-diol
CID 15558522
4-[(3R,4S)-4,5-dihydroxy-1-(4-hydroxyphenyl)pent-1-en-3-yl]benzene-1,2-diol
CID 163024424
(E,2S,3S)-3-(4-hydroxy-3-methoxyphenyl)-5-(4-hydroxyphenyl)pent-4-ene-1,2-diol
CID 70698191
(1S)-1-(4-hydroxyphenyl)propane-1,2,3-triol
CID 141239504
4-(3-methylbut-1-enyl)phenol
CID 57250794
(E,2R,3R,4S)-6-phenylhex-5-ene-1,2,3,4-tetrol
CID 71511914
4-[(E)-2-(4-propan-2-ylphenyl)ethenyl]phenol
CID 122603280
4-(3,3-diphenylprop-1-enyl)phenol
CID 174315137
4-[hydroxy-[5-(hydroxymethyl)furan-2-yl]methyl]phenol
CID 118338095
4-[(Z)-2-(4-aminophenyl)ethenyl]phenol
CID 25021233
4-[(E)-3-(methylamino)but-1-enyl]phenol
CID 103092127

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3,5-bis(4-hydroxyphenyl)pent-4-ene-1,2-diol?
The IUPAC name of (2R,3R)-3,5-bis(4-hydroxyphenyl)pent-4-ene-1,2-diol (CID 162929249) is (2R,3R)-3,5-bis(4-hydroxyphenyl)pent-4-ene-1,2-diol.
What is the SMILES notation for (2R,3R)-3,5-bis(4-hydroxyphenyl)pent-4-ene-1,2-diol?
The canonical SMILES for (2R,3R)-3,5-bis(4-hydroxyphenyl)pent-4-ene-1,2-diol is OC[C@H](O)[C@H](C=Cc1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of (2R,3R)-3,5-bis(4-hydroxyphenyl)pent-4-ene-1,2-diol?
The InChIKey is DVUXXXYVVWRAIA-SJORKVTESA-N. The full InChI is InChI=1S/C17H18O4/c18-11-17(21)16(13-4-8-15(20)9-5-13)10-3-12-1-6-14(19)7-2-12/h1-10,16-21H,11H2/t16-,17+/m1/s1.
What are the key properties of (2R,3R)-3,5-bis(4-hydroxyphenyl)pent-4-ene-1,2-diol?
(2R,3R)-3,5-bis(4-hydroxyphenyl)pent-4-ene-1,2-diol has a molecular weight of 286.33 g/mol, XLogP of 2.25, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3,5-bis(4-hydroxyphenyl)pent-4-ene-1,2-diol is sourced from PubChem (CID 162929249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).