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

C33H40O8 — CID 162920331

IUPAC(3,4-dimethoxyphenyl)-[6-(3,4-dimethoxyphenyl)-5-[3-(3,4-dimethoxyphenyl)prop-2-enyl]oxan-3-yl]methanol
SMILESCOc1ccc(C=CCC2CC(C(O)c3ccc(OC)c(OC)c3)COC2c2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C33H40O8/c1-35-26-13-10-21(16-29(26)38-4)8-7-9-23-17-25(32(34)22-11-14-27(36-2)30(18-22)39-5)20-41-33(23)24-12-15-28(37-3)31(19-24)40-6/h7-8,10-16,18-19,23,25,32-34H,9,17,20H2,1-6H3
InChIKeyDHPIOVHVFXYRTA-UHFFFAOYSA-N
MW564.68 g/mol
LogP6.27
Rot. Bonds12

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

(3,4-dimethoxyphenyl)-[6-(3,4-dimethoxyphenyl)-5-[3-(3,4-dimethoxyphenyl)prop-2-enyl]oxan-3-yl]methanol (PubChem CID 162920331) has the molecular formula C33H40O8 and a molecular weight of 564.68 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-[6-(3,4-dimethoxyphenyl)-5-[3-(3,4-dimethoxyphenyl)prop-2-enyl]oxan-3-yl]methanol.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-[6-(3,4-dimethoxyphenyl)-5-[3-(3,4-dimethoxyphenyl)prop-2-enyl]oxan-3-yl]methanol
PubChem CID162920331
Molecular FormulaC33H40O8
Molecular Weight564.68 g/mol
Exact Mass564.27
IUPAC Name(3,4-dimethoxyphenyl)-[6-(3,4-dimethoxyphenyl)-5-[3-(3,4-dimethoxyphenyl)prop-2-enyl]oxan-3-yl]methanol
SMILESCOc1ccc(C=CCC2CC(C(O)c3ccc(OC)c(OC)c3)COC2c2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C33H40O8/c1-35-26-13-10-21(16-29(26)38-4)8-7-9-23-17-25(32(34)22-11-14-27(36-2)30(18-22)39-5)20-41-33(23)24-12-15-28(37-3)31(19-24)40-6/h7-8,10-16,18-19,23,25,32-34H,9,17,20H2,1-6H3
InChIKeyDHPIOVHVFXYRTA-UHFFFAOYSA-N
XLogP6.27
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.68
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(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
(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
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
(1R,2R)-1-(3,4-dimethoxyphenyl)-2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl]propane-1,3-diol
CID 14123326
(E,1R,2R)-1,5-bis(3,4-dimethoxyphenyl)-2-(methoxymethyl)pent-4-en-1-ol
CID 102287543
1-cyclopropyl-3-(3,4-dimethoxyphenyl)prop-2-en-1-ol
CID 174881612
3-[4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2,6-dimethoxyphenyl]cyclobutan-1-ol
CID 89099987
(E,1S)-1-amino-3-(3,4-dimethoxyphenyl)prop-2-en-1-ol
CID 124638889
4-[(3S,3aS,6R,6aR)-6-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenol
CID 51666253
(E)-3-[4-methoxy-3-(oxetan-3-yloxy)phenyl]prop-2-en-1-amine
CID 117342269
1,7-bis(3,4-dimethoxyphenyl)-4-(3-phenylprop-2-enyl)hepta-1,6-diene-3,5-dione
CID 91286351

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-[6-(3,4-dimethoxyphenyl)-5-[3-(3,4-dimethoxyphenyl)prop-2-enyl]oxan-3-yl]methanol?
The IUPAC name of (3,4-dimethoxyphenyl)-[6-(3,4-dimethoxyphenyl)-5-[3-(3,4-dimethoxyphenyl)prop-2-enyl]oxan-3-yl]methanol (CID 162920331) is (3,4-dimethoxyphenyl)-[6-(3,4-dimethoxyphenyl)-5-[3-(3,4-dimethoxyphenyl)prop-2-enyl]oxan-3-yl]methanol.
What is the SMILES notation for (3,4-dimethoxyphenyl)-[6-(3,4-dimethoxyphenyl)-5-[3-(3,4-dimethoxyphenyl)prop-2-enyl]oxan-3-yl]methanol?
The canonical SMILES for (3,4-dimethoxyphenyl)-[6-(3,4-dimethoxyphenyl)-5-[3-(3,4-dimethoxyphenyl)prop-2-enyl]oxan-3-yl]methanol is COc1ccc(C=CCC2CC(C(O)c3ccc(OC)c(OC)c3)COC2c2ccc(OC)c(OC)c2)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)-[6-(3,4-dimethoxyphenyl)-5-[3-(3,4-dimethoxyphenyl)prop-2-enyl]oxan-3-yl]methanol?
The InChIKey is DHPIOVHVFXYRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H40O8/c1-35-26-13-10-21(16-29(26)38-4)8-7-9-23-17-25(32(34)22-11-14-27(36-2)30(18-22)39-5)20-41-33(23)24-12-15-28(37-3)31(19-24)40-6/h7-8,10-16,18-19,23,25,32-34H,9,17,20H2,1-6H3.
What are the key properties of (3,4-dimethoxyphenyl)-[6-(3,4-dimethoxyphenyl)-5-[3-(3,4-dimethoxyphenyl)prop-2-enyl]oxan-3-yl]methanol?
(3,4-dimethoxyphenyl)-[6-(3,4-dimethoxyphenyl)-5-[3-(3,4-dimethoxyphenyl)prop-2-enyl]oxan-3-yl]methanol has a molecular weight of 564.68 g/mol, XLogP of 6.27, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-[6-(3,4-dimethoxyphenyl)-5-[3-(3,4-dimethoxyphenyl)prop-2-enyl]oxan-3-yl]methanol is sourced from PubChem (CID 162920331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).