1,3-dimethoxy-5-prop-1-enyl-2-[(2R)-1-(3,4,5-trimethoxyphenyl)propan-2-yl]oxybenzene

C23H30O6 — CID 162885945

IUPAC1,3-dimethoxy-5-prop-1-enyl-2-[(2R)-1-(3,4,5-trimethoxyphenyl)propan-2-yl]oxybenzene
SMILESCC=Cc1cc(OC)c(O[C@H](C)Cc2cc(OC)c(OC)c(OC)c2)c(OC)c1
InChIInChI=1S/C23H30O6/c1-8-9-16-11-20(26-5)23(21(12-16)27-6)29-15(2)10-17-13-18(24-3)22(28-7)19(14-17)25-4/h8-9,11-15H,10H2,1-7H3/t15-/m1/s1
InChIKeyKSYLISCRMLSHDL-OAHLLOKOSA-N
MW402.49 g/mol
LogP4.77
Rot. Bonds10

About 1,3-dimethoxy-5-prop-1-enyl-2-[(2R)-1-(3,4,5-trimethoxyphenyl)propan-2-yl]oxybenzene

1,3-dimethoxy-5-prop-1-enyl-2-[(2R)-1-(3,4,5-trimethoxyphenyl)propan-2-yl]oxybenzene (PubChem CID 162885945) has the molecular formula C23H30O6 and a molecular weight of 402.49 g/mol. Its IUPAC name is 1,3-dimethoxy-5-prop-1-enyl-2-[(2R)-1-(3,4,5-trimethoxyphenyl)propan-2-yl]oxybenzene.

Molecular Properties

Compound Name1,3-dimethoxy-5-prop-1-enyl-2-[(2R)-1-(3,4,5-trimethoxyphenyl)propan-2-yl]oxybenzene
PubChem CID162885945
Molecular FormulaC23H30O6
Molecular Weight402.49 g/mol
Exact Mass402.20
IUPAC Name1,3-dimethoxy-5-prop-1-enyl-2-[(2R)-1-(3,4,5-trimethoxyphenyl)propan-2-yl]oxybenzene
SMILESCC=Cc1cc(OC)c(O[C@H](C)Cc2cc(OC)c(OC)c(OC)c2)c(OC)c1
InChIInChI=1S/C23H30O6/c1-8-9-16-11-20(26-5)23(21(12-16)27-6)29-15(2)10-17-13-18(24-3)22(28-7)19(14-17)25-4/h8-9,11-15H,10H2,1-7H3/t15-/m1/s1
InChIKeyKSYLISCRMLSHDL-OAHLLOKOSA-N
XLogP4.77
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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
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 1,3-dimethoxy-5-prop-1-enyl-2-[(2R)-1-(3,4,5-trimethoxyphenyl)propan-2-yl]oxybenzene?
The IUPAC name of 1,3-dimethoxy-5-prop-1-enyl-2-[(2R)-1-(3,4,5-trimethoxyphenyl)propan-2-yl]oxybenzene (CID 162885945) is 1,3-dimethoxy-5-prop-1-enyl-2-[(2R)-1-(3,4,5-trimethoxyphenyl)propan-2-yl]oxybenzene.
What is the SMILES notation for 1,3-dimethoxy-5-prop-1-enyl-2-[(2R)-1-(3,4,5-trimethoxyphenyl)propan-2-yl]oxybenzene?
The canonical SMILES for 1,3-dimethoxy-5-prop-1-enyl-2-[(2R)-1-(3,4,5-trimethoxyphenyl)propan-2-yl]oxybenzene is CC=Cc1cc(OC)c(O[C@H](C)Cc2cc(OC)c(OC)c(OC)c2)c(OC)c1.
What is the InChIKey of 1,3-dimethoxy-5-prop-1-enyl-2-[(2R)-1-(3,4,5-trimethoxyphenyl)propan-2-yl]oxybenzene?
The InChIKey is KSYLISCRMLSHDL-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H30O6/c1-8-9-16-11-20(26-5)23(21(12-16)27-6)29-15(2)10-17-13-18(24-3)22(28-7)19(14-17)25-4/h8-9,11-15H,10H2,1-7H3/t15-/m1/s1.
What are the key properties of 1,3-dimethoxy-5-prop-1-enyl-2-[(2R)-1-(3,4,5-trimethoxyphenyl)propan-2-yl]oxybenzene?
1,3-dimethoxy-5-prop-1-enyl-2-[(2R)-1-(3,4,5-trimethoxyphenyl)propan-2-yl]oxybenzene has a molecular weight of 402.49 g/mol, XLogP of 4.77, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxy-5-prop-1-enyl-2-[(2R)-1-(3,4,5-trimethoxyphenyl)propan-2-yl]oxybenzene is sourced from PubChem (CID 162885945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).