(2R,4S,6R)-2-[2-[(4-methoxyphenyl)methoxy]ethyl]-6-[(E)-2-phenylethenyl]oxan-4-ol

C23H28O4 — CID 138967268

IUPAC(2R,4S,6R)-2-[2-[(4-methoxyphenyl)methoxy]ethyl]-6-[(E)-2-phenylethenyl]oxan-4-ol
SMILESCOc1ccc(COCC[C@@H]2C[C@H](O)C[C@H](/C=C/c3ccccc3)O2)cc1
InChIInChI=1S/C23H28O4/c1-25-21-10-8-19(9-11-21)17-26-14-13-23-16-20(24)15-22(27-23)12-7-18-5-3-2-4-6-18/h2-12,20,22-24H,13-17H2,1H3/b12-7+/t20-,22+,23-/m1/s1
InChIKeyNJUKRCBKDPFHBT-XLZVPLBDSA-N
MW368.47 g/mol
LogP4.22
Rot. Bonds8

About (2R,4S,6R)-2-[2-[(4-methoxyphenyl)methoxy]ethyl]-6-[(E)-2-phenylethenyl]oxan-4-ol

(2R,4S,6R)-2-[2-[(4-methoxyphenyl)methoxy]ethyl]-6-[(E)-2-phenylethenyl]oxan-4-ol (PubChem CID 138967268) has the molecular formula C23H28O4 and a molecular weight of 368.47 g/mol. Its IUPAC name is (2R,4S,6R)-2-[2-[(4-methoxyphenyl)methoxy]ethyl]-6-[(E)-2-phenylethenyl]oxan-4-ol.

Molecular Properties

Compound Name(2R,4S,6R)-2-[2-[(4-methoxyphenyl)methoxy]ethyl]-6-[(E)-2-phenylethenyl]oxan-4-ol
PubChem CID138967268
Molecular FormulaC23H28O4
Molecular Weight368.47 g/mol
Exact Mass368.20
IUPAC Name(2R,4S,6R)-2-[2-[(4-methoxyphenyl)methoxy]ethyl]-6-[(E)-2-phenylethenyl]oxan-4-ol
SMILESCOc1ccc(COCC[C@@H]2C[C@H](O)C[C@H](/C=C/c3ccccc3)O2)cc1
InChIInChI=1S/C23H28O4/c1-25-21-10-8-19(9-11-21)17-26-14-13-23-16-20(24)15-22(27-23)12-7-18-5-3-2-4-6-18/h2-12,20,22-24H,13-17H2,1H3/b12-7+/t20-,22+,23-/m1/s1
InChIKeyNJUKRCBKDPFHBT-XLZVPLBDSA-N
XLogP4.22
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2R,4S,6R)-2-[2-[(4-methoxyphenyl)methoxy]ethyl]-6-[(E)-2-phenylethenyl]oxan-4-ol with MolForge

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Launch Full Analysis

Related Compounds

methyl (2R,3S,5R)-3-hydroxy-5-[2-[(4-methoxyphenyl)methoxy]ethyl]oxolane-2-carboxylate
CID 101373892
(2R,4S,6R)-2-(4-hydroxy-3-methoxyphenyl)-6-(2-phenylmethoxyethyl)oxan-4-ol
CID 135024175
[(2S,3S)-3-[2-[(4-methoxyphenyl)methoxy]ethyl]oxiran-2-yl]methanol
CID 11053700
(4S,5R)-4-[2-[(4-methoxyphenyl)methoxy]ethyl]-2-phenyl-1,3-dioxan-5-ol
CID 11313942
[(2S,3S)-3-[[(2R,4S,6R)-2-(4-methoxyphenyl)-6-[(E)-2-phenylethenyl]-1,3-dioxan-4-yl]methyl]oxiran-2-yl]methanol
CID 101410968
(E)-4-[(2R,4R,6R)-2-(4-methoxyphenyl)-6-[(E)-2-phenylethenyl]-1,3-dioxan-4-yl]but-2-en-1-ol
CID 101410967
(2S,4S,6S)-6-[(2R)-2-[(4-methoxyphenyl)methoxy]butyl]-2-[2-[(4-methoxyphenyl)methoxy]ethyl]-3,3-dimethyloxan-4-ol
CID 72945076
tert-butyl-[(1R)-1-[(2R,5R)-5-[2-[(4-methoxyphenyl)methoxy]ethyl]oxolan-2-yl]-3-methylbut-2-enoxy]-dimethylsilane
CID 52951766
(2R,4S,6R)-2-(4-methoxyphenyl)-6-[2-(4-methoxyphenyl)ethyl]oxan-4-ol
CID 122367194
2-[[(4S)-4-hydroxy-6-[(E)-2-phenylethenyl]oxan-2-yl]methyl]-2,3-dihydropyran-6-one
CID 138968854
(4R)-4-[2-[(4-methoxyphenyl)methoxy]ethyl]-2,2-dimethyl-1,3-dioxolane
CID 11097485
(4S,5S)-4-[3-[(4-methoxyphenyl)methoxy]propyl]-2-phenyl-1,3-dioxan-5-ol
CID 11268344

Frequently Asked Questions

What is the IUPAC name of (2R,4S,6R)-2-[2-[(4-methoxyphenyl)methoxy]ethyl]-6-[(E)-2-phenylethenyl]oxan-4-ol?
The IUPAC name of (2R,4S,6R)-2-[2-[(4-methoxyphenyl)methoxy]ethyl]-6-[(E)-2-phenylethenyl]oxan-4-ol (CID 138967268) is (2R,4S,6R)-2-[2-[(4-methoxyphenyl)methoxy]ethyl]-6-[(E)-2-phenylethenyl]oxan-4-ol.
What is the SMILES notation for (2R,4S,6R)-2-[2-[(4-methoxyphenyl)methoxy]ethyl]-6-[(E)-2-phenylethenyl]oxan-4-ol?
The canonical SMILES for (2R,4S,6R)-2-[2-[(4-methoxyphenyl)methoxy]ethyl]-6-[(E)-2-phenylethenyl]oxan-4-ol is COc1ccc(COCC[C@@H]2C[C@H](O)C[C@H](/C=C/c3ccccc3)O2)cc1.
What is the InChIKey of (2R,4S,6R)-2-[2-[(4-methoxyphenyl)methoxy]ethyl]-6-[(E)-2-phenylethenyl]oxan-4-ol?
The InChIKey is NJUKRCBKDPFHBT-XLZVPLBDSA-N. The full InChI is InChI=1S/C23H28O4/c1-25-21-10-8-19(9-11-21)17-26-14-13-23-16-20(24)15-22(27-23)12-7-18-5-3-2-4-6-18/h2-12,20,22-24H,13-17H2,1H3/b12-7+/t20-,22+,23-/m1/s1.
What are the key properties of (2R,4S,6R)-2-[2-[(4-methoxyphenyl)methoxy]ethyl]-6-[(E)-2-phenylethenyl]oxan-4-ol?
(2R,4S,6R)-2-[2-[(4-methoxyphenyl)methoxy]ethyl]-6-[(E)-2-phenylethenyl]oxan-4-ol has a molecular weight of 368.47 g/mol, XLogP of 4.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,6R)-2-[2-[(4-methoxyphenyl)methoxy]ethyl]-6-[(E)-2-phenylethenyl]oxan-4-ol is sourced from PubChem (CID 138967268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).