(R)-(3,4-dimethoxyphenyl)-[(3R,5R,6R)-6-(3,4-dimethoxyphenyl)-5-[(E)-3-(4-methoxyphenyl)prop-2-enyl]oxan-3-yl]methanol

C32H38O7 — CID 73349111

IUPAC(R)-(3,4-dimethoxyphenyl)-[(3R,5R,6R)-6-(3,4-dimethoxyphenyl)-5-[(E)-3-(4-methoxyphenyl)prop-2-enyl]oxan-3-yl]methanol
SMILESCOc1ccc(/C=C/C[C@@H]2C[C@@H]([C@@H](O)c3ccc(OC)c(OC)c3)CO[C@H]2c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C32H38O7/c1-34-26-13-9-21(10-14-26)7-6-8-23-17-25(31(33)22-11-15-27(35-2)29(18-22)37-4)20-39-32(23)24-12-16-28(36-3)30(19-24)38-5/h6-7,9-16,18-19,23,25,31-33H,8,17,20H2,1-5H3/b7-6+/t23-,25-,31+,32-/m1/s1
InChIKeyXQSCTSLZQLOJAA-PRWZNZAASA-N
MW534.65 g/mol
LogP6.26
Rot. Bonds11

About (R)-(3,4-dimethoxyphenyl)-[(3R,5R,6R)-6-(3,4-dimethoxyphenyl)-5-[(E)-3-(4-methoxyphenyl)prop-2-enyl]oxan-3-yl]methanol

(R)-(3,4-dimethoxyphenyl)-[(3R,5R,6R)-6-(3,4-dimethoxyphenyl)-5-[(E)-3-(4-methoxyphenyl)prop-2-enyl]oxan-3-yl]methanol (PubChem CID 73349111) has the molecular formula C32H38O7 and a molecular weight of 534.65 g/mol. Its IUPAC name is (R)-(3,4-dimethoxyphenyl)-[(3R,5R,6R)-6-(3,4-dimethoxyphenyl)-5-[(E)-3-(4-methoxyphenyl)prop-2-enyl]oxan-3-yl]methanol.

Molecular Properties

Compound Name(R)-(3,4-dimethoxyphenyl)-[(3R,5R,6R)-6-(3,4-dimethoxyphenyl)-5-[(E)-3-(4-methoxyphenyl)prop-2-enyl]oxan-3-yl]methanol
PubChem CID73349111
Molecular FormulaC32H38O7
Molecular Weight534.65 g/mol
Exact Mass534.26
IUPAC Name(R)-(3,4-dimethoxyphenyl)-[(3R,5R,6R)-6-(3,4-dimethoxyphenyl)-5-[(E)-3-(4-methoxyphenyl)prop-2-enyl]oxan-3-yl]methanol
SMILESCOc1ccc(/C=C/C[C@@H]2C[C@@H]([C@@H](O)c3ccc(OC)c(OC)c3)CO[C@H]2c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C32H38O7/c1-34-26-13-9-21(10-14-26)7-6-8-23-17-25(31(33)22-11-15-27(35-2)29(18-22)37-4)20-39-32(23)24-12-16-28(36-3)30(19-24)38-5/h6-7,9-16,18-19,23,25,31-33H,8,17,20H2,1-5H3/b7-6+/t23-,25-,31+,32-/m1/s1
InChIKeyXQSCTSLZQLOJAA-PRWZNZAASA-N
XLogP6.26
TPSA75.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.65
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (R)-(3,4-dimethoxyphenyl)-[(3R,5R,6R)-6-(3,4-dimethoxyphenyl)-5-[(E)-3-(4-methoxyphenyl)prop-2-enyl]oxan-3-yl]methanol with MolForge

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Related Compounds

(3,4-dimethoxyphenyl)-[6-(3,4-dimethoxyphenyl)-5-[3-(3,4-dimethoxyphenyl)prop-2-enyl]oxan-3-yl]methanol
CID 162920331
(1R,2S)-1-(3,4-dimethoxyphenyl)-2-[(E)-3-(4-methoxyphenyl)prop-2-enyl]propane-1,3-diol
CID 10904434
1-(3,4-dimethoxyphenyl)-2-[3-(4-methoxyphenyl)prop-2-enyl]propane-1,3-diol
CID 73118158
(R)-[(3S,4S,5S)-5-(3,4-dimethoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]-(3,4,5-trimethoxyphenyl)methanol
CID 101145312
(S)-(3,4-dimethoxyphenyl)-[(3R,4S,5R)-4-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)oxolan-3-yl]methanol
CID 25233910
(2S,3S,4S)-2-(3,4-dimethoxyphenyl)-7-methoxy-3,4-dihydro-2H-chromene-3,4-diol
CID 14991958
(6S,7S)-6-(4-methoxyphenyl)-7-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromene
CID 92530267
3-(3,4-dimethoxyphenyl)-6-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan
CID 171329302
1,2-dimethoxy-4-[(E)-3-(4-methoxyphenyl)prop-2-enyl]benzene
CID 46231236
[2-[(3,4-dimethoxyphenyl)-hydroxymethyl]-5-(4-methoxyphenyl)pent-4-enyl] 2-(hydroxymethyl)but-2-enoate
CID 163006254
(3R)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-3-ol
CID 102352404
(3R,4S)-3-(3,4-dimethoxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 100961451

Frequently Asked Questions

What is the IUPAC name of (R)-(3,4-dimethoxyphenyl)-[(3R,5R,6R)-6-(3,4-dimethoxyphenyl)-5-[(E)-3-(4-methoxyphenyl)prop-2-enyl]oxan-3-yl]methanol?
The IUPAC name of (R)-(3,4-dimethoxyphenyl)-[(3R,5R,6R)-6-(3,4-dimethoxyphenyl)-5-[(E)-3-(4-methoxyphenyl)prop-2-enyl]oxan-3-yl]methanol (CID 73349111) is (R)-(3,4-dimethoxyphenyl)-[(3R,5R,6R)-6-(3,4-dimethoxyphenyl)-5-[(E)-3-(4-methoxyphenyl)prop-2-enyl]oxan-3-yl]methanol.
What is the SMILES notation for (R)-(3,4-dimethoxyphenyl)-[(3R,5R,6R)-6-(3,4-dimethoxyphenyl)-5-[(E)-3-(4-methoxyphenyl)prop-2-enyl]oxan-3-yl]methanol?
The canonical SMILES for (R)-(3,4-dimethoxyphenyl)-[(3R,5R,6R)-6-(3,4-dimethoxyphenyl)-5-[(E)-3-(4-methoxyphenyl)prop-2-enyl]oxan-3-yl]methanol is COc1ccc(/C=C/C[C@@H]2C[C@@H]([C@@H](O)c3ccc(OC)c(OC)c3)CO[C@H]2c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of (R)-(3,4-dimethoxyphenyl)-[(3R,5R,6R)-6-(3,4-dimethoxyphenyl)-5-[(E)-3-(4-methoxyphenyl)prop-2-enyl]oxan-3-yl]methanol?
The InChIKey is XQSCTSLZQLOJAA-PRWZNZAASA-N. The full InChI is InChI=1S/C32H38O7/c1-34-26-13-9-21(10-14-26)7-6-8-23-17-25(31(33)22-11-15-27(35-2)29(18-22)37-4)20-39-32(23)24-12-16-28(36-3)30(19-24)38-5/h6-7,9-16,18-19,23,25,31-33H,8,17,20H2,1-5H3/b7-6+/t23-,25-,31+,32-/m1/s1.
What are the key properties of (R)-(3,4-dimethoxyphenyl)-[(3R,5R,6R)-6-(3,4-dimethoxyphenyl)-5-[(E)-3-(4-methoxyphenyl)prop-2-enyl]oxan-3-yl]methanol?
(R)-(3,4-dimethoxyphenyl)-[(3R,5R,6R)-6-(3,4-dimethoxyphenyl)-5-[(E)-3-(4-methoxyphenyl)prop-2-enyl]oxan-3-yl]methanol has a molecular weight of 534.65 g/mol, XLogP of 6.26, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(3,4-dimethoxyphenyl)-[(3R,5R,6R)-6-(3,4-dimethoxyphenyl)-5-[(E)-3-(4-methoxyphenyl)prop-2-enyl]oxan-3-yl]methanol is sourced from PubChem (CID 73349111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).