(2S,4S,6R)-2-(4-hydroxyphenyl)-6-[2-(4-hydroxyphenyl)ethenyl]oxan-4-ol

C19H20O4 — CID 162858506

IUPAC(2S,4S,6R)-2-(4-hydroxyphenyl)-6-[2-(4-hydroxyphenyl)ethenyl]oxan-4-ol
SMILESOc1ccc(C=C[C@H]2C[C@H](O)C[C@@H](c3ccc(O)cc3)O2)cc1
InChIInChI=1S/C19H20O4/c20-15-6-1-13(2-7-15)3-10-18-11-17(22)12-19(23-18)14-4-8-16(21)9-5-14/h1-10,17-22H,11-12H2/t17-,18-,19-/m0/s1
InChIKeyGBYSOQCWRCFSHV-FHWLQOOXSA-N
MW312.37 g/mol
LogP3.39
Rot. Bonds3

About (2S,4S,6R)-2-(4-hydroxyphenyl)-6-[2-(4-hydroxyphenyl)ethenyl]oxan-4-ol

(2S,4S,6R)-2-(4-hydroxyphenyl)-6-[2-(4-hydroxyphenyl)ethenyl]oxan-4-ol (PubChem CID 162858506) has the molecular formula C19H20O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is (2S,4S,6R)-2-(4-hydroxyphenyl)-6-[2-(4-hydroxyphenyl)ethenyl]oxan-4-ol.

Molecular Properties

Compound Name(2S,4S,6R)-2-(4-hydroxyphenyl)-6-[2-(4-hydroxyphenyl)ethenyl]oxan-4-ol
PubChem CID162858506
Molecular FormulaC19H20O4
Molecular Weight312.37 g/mol
Exact Mass312.14
IUPAC Name(2S,4S,6R)-2-(4-hydroxyphenyl)-6-[2-(4-hydroxyphenyl)ethenyl]oxan-4-ol
SMILESOc1ccc(C=C[C@H]2C[C@H](O)C[C@@H](c3ccc(O)cc3)O2)cc1
InChIInChI=1S/C19H20O4/c20-15-6-1-13(2-7-15)3-10-18-11-17(22)12-19(23-18)14-4-8-16(21)9-5-14/h1-10,17-22H,11-12H2/t17-,18-,19-/m0/s1
InChIKeyGBYSOQCWRCFSHV-FHWLQOOXSA-N
XLogP3.39
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(E)-2-(oxolan-2-yl)ethenyl]phenol
CID 24858057
(E)-1-(4-bromophenyl)-3-[4-[6-(4-bromophenyl)-4-hydroxyoxan-2-yl]phenyl]prop-2-en-1-one
CID 139234445
(2S)-2-(4-hydroxyphenyl)-6-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydropyran-4-one
CID 125416659
(4S,6R)-4-hydroxy-6-[(E)-2-phenylethenyl]oxan-2-one
CID 10465961
2-[[(4S)-4-hydroxy-6-[(E)-2-phenylethenyl]oxan-2-yl]methyl]-2,3-dihydropyran-6-one
CID 138968854
(2R,4S,6R)-2-[2-[(4-methoxyphenyl)methoxy]ethyl]-6-[(E)-2-phenylethenyl]oxan-4-ol
CID 138967268
(2R,4S,6S)-2-ethenyl-4-iodo-6-[(E)-2-phenylethenyl]oxane
CID 102324958
(2R,4R,6S)-2-ethenyl-6-[(E)-2-(2-methylphenyl)ethenyl]oxan-4-ol
CID 101353757
4-[6-(4-hydroxyphenyl)hexa-1,3,5-trienyl]phenol
CID 73020850
(2S,4R,6R)-2-(4-bromophenyl)-6-phenyloxan-4-ol
CID 101086395
4-ethenylphenol;2-(4-ethenylphenyl)oxane
CID 131719203
(2R,5S)-5-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-2-(hydroxymethyl)oxolan-3-ol
CID 89244579

Frequently Asked Questions

What is the IUPAC name of (2S,4S,6R)-2-(4-hydroxyphenyl)-6-[2-(4-hydroxyphenyl)ethenyl]oxan-4-ol?
The IUPAC name of (2S,4S,6R)-2-(4-hydroxyphenyl)-6-[2-(4-hydroxyphenyl)ethenyl]oxan-4-ol (CID 162858506) is (2S,4S,6R)-2-(4-hydroxyphenyl)-6-[2-(4-hydroxyphenyl)ethenyl]oxan-4-ol.
What is the SMILES notation for (2S,4S,6R)-2-(4-hydroxyphenyl)-6-[2-(4-hydroxyphenyl)ethenyl]oxan-4-ol?
The canonical SMILES for (2S,4S,6R)-2-(4-hydroxyphenyl)-6-[2-(4-hydroxyphenyl)ethenyl]oxan-4-ol is Oc1ccc(C=C[C@H]2C[C@H](O)C[C@@H](c3ccc(O)cc3)O2)cc1.
What is the InChIKey of (2S,4S,6R)-2-(4-hydroxyphenyl)-6-[2-(4-hydroxyphenyl)ethenyl]oxan-4-ol?
The InChIKey is GBYSOQCWRCFSHV-FHWLQOOXSA-N. The full InChI is InChI=1S/C19H20O4/c20-15-6-1-13(2-7-15)3-10-18-11-17(22)12-19(23-18)14-4-8-16(21)9-5-14/h1-10,17-22H,11-12H2/t17-,18-,19-/m0/s1.
What are the key properties of (2S,4S,6R)-2-(4-hydroxyphenyl)-6-[2-(4-hydroxyphenyl)ethenyl]oxan-4-ol?
(2S,4S,6R)-2-(4-hydroxyphenyl)-6-[2-(4-hydroxyphenyl)ethenyl]oxan-4-ol has a molecular weight of 312.37 g/mol, XLogP of 3.39, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,6R)-2-(4-hydroxyphenyl)-6-[2-(4-hydroxyphenyl)ethenyl]oxan-4-ol is sourced from PubChem (CID 162858506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).