(E)-4-[(2R,4R,6R)-2-(4-methoxyphenyl)-6-[(E)-2-phenylethenyl]-1,3-dioxan-4-yl]but-2-en-1-ol

C23H26O4 — CID 101410967

IUPAC(E)-4-[(2R,4R,6R)-2-(4-methoxyphenyl)-6-[(E)-2-phenylethenyl]-1,3-dioxan-4-yl]but-2-en-1-ol
SMILESCOc1ccc([C@@H]2O[C@H](C/C=C/CO)C[C@H](/C=C/c3ccccc3)O2)cc1
InChIInChI=1S/C23H26O4/c1-25-20-14-11-19(12-15-20)23-26-21(9-5-6-16-24)17-22(27-23)13-10-18-7-3-2-4-8-18/h2-8,10-15,21-24H,9,16-17H2,1H3/b6-5+,13-10+/t21-,22+,23-/m1/s1
InChIKeyNWWPKLMIBKYRFB-NJCYEMBNSA-N
MW366.46 g/mol
LogP4.52
Rot. Bonds7

About (E)-4-[(2R,4R,6R)-2-(4-methoxyphenyl)-6-[(E)-2-phenylethenyl]-1,3-dioxan-4-yl]but-2-en-1-ol

(E)-4-[(2R,4R,6R)-2-(4-methoxyphenyl)-6-[(E)-2-phenylethenyl]-1,3-dioxan-4-yl]but-2-en-1-ol (PubChem CID 101410967) has the molecular formula C23H26O4 and a molecular weight of 366.46 g/mol. Its IUPAC name is (E)-4-[(2R,4R,6R)-2-(4-methoxyphenyl)-6-[(E)-2-phenylethenyl]-1,3-dioxan-4-yl]but-2-en-1-ol.

Molecular Properties

Compound Name(E)-4-[(2R,4R,6R)-2-(4-methoxyphenyl)-6-[(E)-2-phenylethenyl]-1,3-dioxan-4-yl]but-2-en-1-ol
PubChem CID101410967
Molecular FormulaC23H26O4
Molecular Weight366.46 g/mol
Exact Mass366.18
IUPAC Name(E)-4-[(2R,4R,6R)-2-(4-methoxyphenyl)-6-[(E)-2-phenylethenyl]-1,3-dioxan-4-yl]but-2-en-1-ol
SMILESCOc1ccc([C@@H]2O[C@H](C/C=C/CO)C[C@H](/C=C/c3ccccc3)O2)cc1
InChIInChI=1S/C23H26O4/c1-25-20-14-11-19(12-15-20)23-26-21(9-5-6-16-24)17-22(27-23)13-10-18-7-3-2-4-8-18/h2-8,10-15,21-24H,9,16-17H2,1H3/b6-5+,13-10+/t21-,22+,23-/m1/s1
InChIKeyNWWPKLMIBKYRFB-NJCYEMBNSA-N
XLogP4.52
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-4-[(2R,4R,6R)-2-(4-methoxyphenyl)-6-[(E)-2-phenylethenyl]-1,3-dioxan-4-yl]but-2-en-1-ol with MolForge

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Launch Full Analysis

Related Compounds

[(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
(2S,4S,6R)-4-benzyl-2-(4-methoxyphenyl)-6-prop-2-enyl-1,3-dioxane
CID 102019920
(2R,4S,6R)-2-[2-[(4-methoxyphenyl)methoxy]ethyl]-6-[(E)-2-phenylethenyl]oxan-4-ol
CID 138967268
methyl (E)-4-[(2R,4R,6R)-2-(4-methoxyphenyl)-6-methyl-1,3-dioxan-4-yl]but-2-enoate
CID 135027244
ethyl (E)-3-[(2S,4R,6S)-6-[(4-methoxyphenyl)methoxymethyl]-2-phenyl-1,3-dioxan-4-yl]prop-2-enoate
CID 72711234
ethyl (Z)-3-[(2S,4R,6S)-6-[(4-methoxyphenyl)methoxymethyl]-2-phenyl-1,3-dioxan-4-yl]prop-2-enoate
CID 72711456
ethyl (E)-4-[(2R,4R,5R,6S)-2-(4-methoxyphenyl)-5-methyl-6-[(E)-2-phenylethenyl]-1,3-dioxan-4-yl]but-2-enoate
CID 11961393
(4R,6R)-2-(4-methoxyphenyl)-4,6-dimethyl-1,3-dioxane
CID 25233008
(E,4R)-4-[(2R,4S,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]pent-2-en-1-ol
CID 10661314
(3S,5S,6S)-3-[(E,1S)-1-hydroxy-3-phenylprop-2-enyl]-5,6-bis(4-methoxyphenyl)-1,4-dioxan-2-one
CID 11224621
(3S)-6-methoxy-3-(2-phenylethenyl)-3,4-dihydroisochromen-1-one
CID 162809905
N-(2-hydroxyethyl)-7-methoxy-N-[(E)-3-phenylprop-2-enyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 72931982

Frequently Asked Questions

What is the IUPAC name of (E)-4-[(2R,4R,6R)-2-(4-methoxyphenyl)-6-[(E)-2-phenylethenyl]-1,3-dioxan-4-yl]but-2-en-1-ol?
The IUPAC name of (E)-4-[(2R,4R,6R)-2-(4-methoxyphenyl)-6-[(E)-2-phenylethenyl]-1,3-dioxan-4-yl]but-2-en-1-ol (CID 101410967) is (E)-4-[(2R,4R,6R)-2-(4-methoxyphenyl)-6-[(E)-2-phenylethenyl]-1,3-dioxan-4-yl]but-2-en-1-ol.
What is the SMILES notation for (E)-4-[(2R,4R,6R)-2-(4-methoxyphenyl)-6-[(E)-2-phenylethenyl]-1,3-dioxan-4-yl]but-2-en-1-ol?
The canonical SMILES for (E)-4-[(2R,4R,6R)-2-(4-methoxyphenyl)-6-[(E)-2-phenylethenyl]-1,3-dioxan-4-yl]but-2-en-1-ol is COc1ccc([C@@H]2O[C@H](C/C=C/CO)C[C@H](/C=C/c3ccccc3)O2)cc1.
What is the InChIKey of (E)-4-[(2R,4R,6R)-2-(4-methoxyphenyl)-6-[(E)-2-phenylethenyl]-1,3-dioxan-4-yl]but-2-en-1-ol?
The InChIKey is NWWPKLMIBKYRFB-NJCYEMBNSA-N. The full InChI is InChI=1S/C23H26O4/c1-25-20-14-11-19(12-15-20)23-26-21(9-5-6-16-24)17-22(27-23)13-10-18-7-3-2-4-8-18/h2-8,10-15,21-24H,9,16-17H2,1H3/b6-5+,13-10+/t21-,22+,23-/m1/s1.
What are the key properties of (E)-4-[(2R,4R,6R)-2-(4-methoxyphenyl)-6-[(E)-2-phenylethenyl]-1,3-dioxan-4-yl]but-2-en-1-ol?
(E)-4-[(2R,4R,6R)-2-(4-methoxyphenyl)-6-[(E)-2-phenylethenyl]-1,3-dioxan-4-yl]but-2-en-1-ol has a molecular weight of 366.46 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[(2R,4R,6R)-2-(4-methoxyphenyl)-6-[(E)-2-phenylethenyl]-1,3-dioxan-4-yl]but-2-en-1-ol is sourced from PubChem (CID 101410967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).