2-[(2S)-1-[3,5-dimethoxy-4-[(2S)-1-(3,4,5-trimethoxyphenyl)propan-2-yl]oxyphenyl]propan-2-yl]oxy-1,3-dimethoxy-5-[(E)-prop-1-enyl]benzene

C34H44O9 — CID 163188790

IUPAC2-[(2S)-1-[3,5-dimethoxy-4-[(2S)-1-(3,4,5-trimethoxyphenyl)propan-2-yl]oxyphenyl]propan-2-yl]oxy-1,3-dimethoxy-5-[(E)-prop-1-enyl]benzene
SMILESC/C=C/c1cc(OC)c(O[C@@H](C)Cc2cc(OC)c(O[C@@H](C)Cc3cc(OC)c(OC)c(OC)c3)c(OC)c2)c(OC)c1
InChIInChI=1S/C34H44O9/c1-11-12-23-15-28(37-6)33(29(16-23)38-7)42-22(3)14-25-19-30(39-8)34(31(20-25)40-9)43-21(2)13-24-17-26(35-4)32(41-10)27(18-24)36-5/h11-12,15-22H,13-14H2,1-10H3/b12-11+/t21-,22-/m0/s1
InChIKeyBNSPYHAAXNQEMW-KFDAMUOLSA-N
MW596.72 g/mol
LogP6.80
Rot. Bonds16

About 2-[(2S)-1-[3,5-dimethoxy-4-[(2S)-1-(3,4,5-trimethoxyphenyl)propan-2-yl]oxyphenyl]propan-2-yl]oxy-1,3-dimethoxy-5-[(E)-prop-1-enyl]benzene

2-[(2S)-1-[3,5-dimethoxy-4-[(2S)-1-(3,4,5-trimethoxyphenyl)propan-2-yl]oxyphenyl]propan-2-yl]oxy-1,3-dimethoxy-5-[(E)-prop-1-enyl]benzene (PubChem CID 163188790) has the molecular formula C34H44O9 and a molecular weight of 596.72 g/mol. Its IUPAC name is 2-[(2S)-1-[3,5-dimethoxy-4-[(2S)-1-(3,4,5-trimethoxyphenyl)propan-2-yl]oxyphenyl]propan-2-yl]oxy-1,3-dimethoxy-5-[(E)-prop-1-enyl]benzene.

Molecular Properties

Compound Name2-[(2S)-1-[3,5-dimethoxy-4-[(2S)-1-(3,4,5-trimethoxyphenyl)propan-2-yl]oxyphenyl]propan-2-yl]oxy-1,3-dimethoxy-5-[(E)-prop-1-enyl]benzene
PubChem CID163188790
Molecular FormulaC34H44O9
Molecular Weight596.72 g/mol
Exact Mass596.30
IUPAC Name2-[(2S)-1-[3,5-dimethoxy-4-[(2S)-1-(3,4,5-trimethoxyphenyl)propan-2-yl]oxyphenyl]propan-2-yl]oxy-1,3-dimethoxy-5-[(E)-prop-1-enyl]benzene
SMILESC/C=C/c1cc(OC)c(O[C@@H](C)Cc2cc(OC)c(O[C@@H](C)Cc3cc(OC)c(OC)c(OC)c3)c(OC)c2)c(OC)c1
InChIInChI=1S/C34H44O9/c1-11-12-23-15-28(37-6)33(29(16-23)38-7)42-22(3)14-25-19-30(39-8)34(31(20-25)40-9)43-21(2)13-24-17-26(35-4)32(41-10)27(18-24)36-5/h11-12,15-22H,13-14H2,1-10H3/b12-11+/t21-,22-/m0/s1
InChIKeyBNSPYHAAXNQEMW-KFDAMUOLSA-N
XLogP6.80
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.72
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[(2S)-1-[3,5-dimethoxy-4-[(2S)-1-(3,4,5-trimethoxyphenyl)propan-2-yl]oxyphenyl]propan-2-yl]oxy-1,3-dimethoxy-5-[(E)-prop-1-enyl]benzene with MolForge

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Related Compounds

1,3-dimethoxy-5-prop-1-enyl-2-[(2R)-1-(3,4,5-trimethoxyphenyl)propan-2-yl]oxybenzene
CID 162885945
4-[(2R)-2-(2,6-dimethoxy-4-prop-1-enylphenoxy)propyl]-2,6-dimethoxyphenol
CID 162900786
5-bromo-1,3-dimethoxy-2-[1-(3,4,5-trimethoxyphenyl)propan-2-yloxy]benzene
CID 67359347
(1S,2R)-2-[2,6-dimethoxy-4-[(E)-prop-1-enyl]phenoxy]-1-(3,4,5-trimethoxyphenyl)propan-1-ol
CID 44559993
1-(3,4,5-trimethoxy(213C)cyclohexa-1,3,5-trien-1-yl)propan-2-amine
CID 71492617
2-butan-2-yloxy-1,3-dimethoxy-5-[(E)-prop-1-enyl]benzene;[2-butan-2-yloxy-3-(hydroxymethyl)-5-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methanol
CID 158544909
1,2,3-trimethoxy-5-[(E)-3-methylpent-1-enyl]benzene
CID 142222347
(2R)-2-(2,6-dimethoxy-4-prop-1-enylphenoxy)-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-1-one
CID 162960084
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-1-(3,4,5-trimethoxyphenyl)propan-1-ol
CID 6125186
2-butan-2-yloxy-5-[2-[4-[2-(4-butan-2-yloxy-3,5-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-1-ethyl-3-methoxybenzene
CID 72553327
1-bromo-2,3-dimethoxy-5-(2-methylpropyl)benzene
CID 20811639
2-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]-1-(3,4,5-trimethoxyphenyl)propan-1-ol
CID 14018328

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-[3,5-dimethoxy-4-[(2S)-1-(3,4,5-trimethoxyphenyl)propan-2-yl]oxyphenyl]propan-2-yl]oxy-1,3-dimethoxy-5-[(E)-prop-1-enyl]benzene?
The IUPAC name of 2-[(2S)-1-[3,5-dimethoxy-4-[(2S)-1-(3,4,5-trimethoxyphenyl)propan-2-yl]oxyphenyl]propan-2-yl]oxy-1,3-dimethoxy-5-[(E)-prop-1-enyl]benzene (CID 163188790) is 2-[(2S)-1-[3,5-dimethoxy-4-[(2S)-1-(3,4,5-trimethoxyphenyl)propan-2-yl]oxyphenyl]propan-2-yl]oxy-1,3-dimethoxy-5-[(E)-prop-1-enyl]benzene.
What is the SMILES notation for 2-[(2S)-1-[3,5-dimethoxy-4-[(2S)-1-(3,4,5-trimethoxyphenyl)propan-2-yl]oxyphenyl]propan-2-yl]oxy-1,3-dimethoxy-5-[(E)-prop-1-enyl]benzene?
The canonical SMILES for 2-[(2S)-1-[3,5-dimethoxy-4-[(2S)-1-(3,4,5-trimethoxyphenyl)propan-2-yl]oxyphenyl]propan-2-yl]oxy-1,3-dimethoxy-5-[(E)-prop-1-enyl]benzene is C/C=C/c1cc(OC)c(O[C@@H](C)Cc2cc(OC)c(O[C@@H](C)Cc3cc(OC)c(OC)c(OC)c3)c(OC)c2)c(OC)c1.
What is the InChIKey of 2-[(2S)-1-[3,5-dimethoxy-4-[(2S)-1-(3,4,5-trimethoxyphenyl)propan-2-yl]oxyphenyl]propan-2-yl]oxy-1,3-dimethoxy-5-[(E)-prop-1-enyl]benzene?
The InChIKey is BNSPYHAAXNQEMW-KFDAMUOLSA-N. The full InChI is InChI=1S/C34H44O9/c1-11-12-23-15-28(37-6)33(29(16-23)38-7)42-22(3)14-25-19-30(39-8)34(31(20-25)40-9)43-21(2)13-24-17-26(35-4)32(41-10)27(18-24)36-5/h11-12,15-22H,13-14H2,1-10H3/b12-11+/t21-,22-/m0/s1.
What are the key properties of 2-[(2S)-1-[3,5-dimethoxy-4-[(2S)-1-(3,4,5-trimethoxyphenyl)propan-2-yl]oxyphenyl]propan-2-yl]oxy-1,3-dimethoxy-5-[(E)-prop-1-enyl]benzene?
2-[(2S)-1-[3,5-dimethoxy-4-[(2S)-1-(3,4,5-trimethoxyphenyl)propan-2-yl]oxyphenyl]propan-2-yl]oxy-1,3-dimethoxy-5-[(E)-prop-1-enyl]benzene has a molecular weight of 596.72 g/mol, XLogP of 6.80, 16 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-[3,5-dimethoxy-4-[(2S)-1-(3,4,5-trimethoxyphenyl)propan-2-yl]oxyphenyl]propan-2-yl]oxy-1,3-dimethoxy-5-[(E)-prop-1-enyl]benzene is sourced from PubChem (CID 163188790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).