(5aR,11aR,12S)-1,10-dimethoxy-5a-(4-methoxyphenyl)-12-[(E)-2-(4-methoxyphenyl)ethenyl]-11a,12-dihydro-11H-chromeno[2,3-b]chromene

C34H32O6 — CID 57400320

IUPAC(5aR,11aR,12S)-1,10-dimethoxy-5a-(4-methoxyphenyl)-12-[(E)-2-(4-methoxyphenyl)ethenyl]-11a,12-dihydro-11H-chromeno[2,3-b]chromene
SMILESCOc1ccc(/C=C/[C@@H]2c3c(OC)cccc3O[C@]3(c4ccc(OC)cc4)Oc4cccc(OC)c4C[C@H]23)cc1
InChIInChI=1S/C34H32O6/c1-35-24-16-11-22(12-17-24)13-20-26-28-21-27-29(37-3)7-5-8-30(27)39-34(28,23-14-18-25(36-2)19-15-23)40-32-10-6-9-31(38-4)33(26)32/h5-20,26,28H,21H2,1-4H3/b20-13+/t26-,28+,34-/m0/s1
InChIKeyNKVDLSWESNPDMT-ASWHUNFKSA-N
MW536.62 g/mol
LogP7.01
Rot. Bonds7

About (5aR,11aR,12S)-1,10-dimethoxy-5a-(4-methoxyphenyl)-12-[(E)-2-(4-methoxyphenyl)ethenyl]-11a,12-dihydro-11H-chromeno[2,3-b]chromene

(5aR,11aR,12S)-1,10-dimethoxy-5a-(4-methoxyphenyl)-12-[(E)-2-(4-methoxyphenyl)ethenyl]-11a,12-dihydro-11H-chromeno[2,3-b]chromene (PubChem CID 57400320) has the molecular formula C34H32O6 and a molecular weight of 536.62 g/mol. Its IUPAC name is (5aR,11aR,12S)-1,10-dimethoxy-5a-(4-methoxyphenyl)-12-[(E)-2-(4-methoxyphenyl)ethenyl]-11a,12-dihydro-11H-chromeno[2,3-b]chromene.

Molecular Properties

Compound Name(5aR,11aR,12S)-1,10-dimethoxy-5a-(4-methoxyphenyl)-12-[(E)-2-(4-methoxyphenyl)ethenyl]-11a,12-dihydro-11H-chromeno[2,3-b]chromene
PubChem CID57400320
Molecular FormulaC34H32O6
Molecular Weight536.62 g/mol
Exact Mass536.22
IUPAC Name(5aR,11aR,12S)-1,10-dimethoxy-5a-(4-methoxyphenyl)-12-[(E)-2-(4-methoxyphenyl)ethenyl]-11a,12-dihydro-11H-chromeno[2,3-b]chromene
SMILESCOc1ccc(/C=C/[C@@H]2c3c(OC)cccc3O[C@]3(c4ccc(OC)cc4)Oc4cccc(OC)c4C[C@H]23)cc1
InChIInChI=1S/C34H32O6/c1-35-24-16-11-22(12-17-24)13-20-26-28-21-27-29(37-3)7-5-8-30(27)39-34(28,23-14-18-25(36-2)19-15-23)40-32-10-6-9-31(38-4)33(26)32/h5-20,26,28H,21H2,1-4H3/b20-13+/t26-,28+,34-/m0/s1
InChIKeyNKVDLSWESNPDMT-ASWHUNFKSA-N
XLogP7.01
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.62
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (5aR,11aR,12S)-1,10-dimethoxy-5a-(4-methoxyphenyl)-12-[(E)-2-(4-methoxyphenyl)ethenyl]-11a,12-dihydro-11H-chromeno[2,3-b]chromene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5aR,11aR,12S)-1,10-dimethoxy-5a-(4-methoxyphenyl)-12-[(E)-2-(4-methoxyphenyl)ethenyl]-11a,12-dihydro-11H-chromeno[2,3-b]chromene?
The IUPAC name of (5aR,11aR,12S)-1,10-dimethoxy-5a-(4-methoxyphenyl)-12-[(E)-2-(4-methoxyphenyl)ethenyl]-11a,12-dihydro-11H-chromeno[2,3-b]chromene (CID 57400320) is (5aR,11aR,12S)-1,10-dimethoxy-5a-(4-methoxyphenyl)-12-[(E)-2-(4-methoxyphenyl)ethenyl]-11a,12-dihydro-11H-chromeno[2,3-b]chromene.
What is the SMILES notation for (5aR,11aR,12S)-1,10-dimethoxy-5a-(4-methoxyphenyl)-12-[(E)-2-(4-methoxyphenyl)ethenyl]-11a,12-dihydro-11H-chromeno[2,3-b]chromene?
The canonical SMILES for (5aR,11aR,12S)-1,10-dimethoxy-5a-(4-methoxyphenyl)-12-[(E)-2-(4-methoxyphenyl)ethenyl]-11a,12-dihydro-11H-chromeno[2,3-b]chromene is COc1ccc(/C=C/[C@@H]2c3c(OC)cccc3O[C@]3(c4ccc(OC)cc4)Oc4cccc(OC)c4C[C@H]23)cc1.
What is the InChIKey of (5aR,11aR,12S)-1,10-dimethoxy-5a-(4-methoxyphenyl)-12-[(E)-2-(4-methoxyphenyl)ethenyl]-11a,12-dihydro-11H-chromeno[2,3-b]chromene?
The InChIKey is NKVDLSWESNPDMT-ASWHUNFKSA-N. The full InChI is InChI=1S/C34H32O6/c1-35-24-16-11-22(12-17-24)13-20-26-28-21-27-29(37-3)7-5-8-30(27)39-34(28,23-14-18-25(36-2)19-15-23)40-32-10-6-9-31(38-4)33(26)32/h5-20,26,28H,21H2,1-4H3/b20-13+/t26-,28+,34-/m0/s1.
What are the key properties of (5aR,11aR,12S)-1,10-dimethoxy-5a-(4-methoxyphenyl)-12-[(E)-2-(4-methoxyphenyl)ethenyl]-11a,12-dihydro-11H-chromeno[2,3-b]chromene?
(5aR,11aR,12S)-1,10-dimethoxy-5a-(4-methoxyphenyl)-12-[(E)-2-(4-methoxyphenyl)ethenyl]-11a,12-dihydro-11H-chromeno[2,3-b]chromene has a molecular weight of 536.62 g/mol, XLogP of 7.01, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5aR,11aR,12S)-1,10-dimethoxy-5a-(4-methoxyphenyl)-12-[(E)-2-(4-methoxyphenyl)ethenyl]-11a,12-dihydro-11H-chromeno[2,3-b]chromene is sourced from PubChem (CID 57400320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).