(2R,4S)-2-(3,4-dimethoxyphenyl)-4-[(2S)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3-methyl-3,4-dihydro-2H-chromen-8-yl]-5,7-dimethoxy-4H-chromen-3-one

C39H42O11 — CID 143904320

IUPAC(2R,4S)-2-(3,4-dimethoxyphenyl)-4-[(2S)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3-methyl-3,4-dihydro-2H-chromen-8-yl]-5,7-dimethoxy-4H-chromen-3-one
SMILESCOc1cc(OC)c2c(c1)O[C@H](c1ccc(OC)c(OC)c1)C(=O)[C@@H]2c1c(OC)cc(OC)c2c1O[C@H](c1ccc(OC)c(OC)c1)C(C)C2
InChIInChI=1S/C39H42O11/c1-20-14-24-27(44-5)19-31(48-9)34(39(24)50-37(20)21-10-12-25(42-3)28(15-21)45-6)35-33-30(47-8)17-23(41-2)18-32(33)49-38(36(35)40)22-11-13-26(43-4)29(16-22)46-7/h10-13,15-20,35,37-38H,14H2,1-9H3/t20?,35-,37-,38+/m0/s1
InChIKeyUBZNFCCQZPFPOD-IDGAJRTCSA-N
MW686.75 g/mol
LogP6.90
Rot. Bonds11

About (2R,4S)-2-(3,4-dimethoxyphenyl)-4-[(2S)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3-methyl-3,4-dihydro-2H-chromen-8-yl]-5,7-dimethoxy-4H-chromen-3-one

(2R,4S)-2-(3,4-dimethoxyphenyl)-4-[(2S)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3-methyl-3,4-dihydro-2H-chromen-8-yl]-5,7-dimethoxy-4H-chromen-3-one (PubChem CID 143904320) has the molecular formula C39H42O11 and a molecular weight of 686.75 g/mol. Its IUPAC name is (2R,4S)-2-(3,4-dimethoxyphenyl)-4-[(2S)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3-methyl-3,4-dihydro-2H-chromen-8-yl]-5,7-dimethoxy-4H-chromen-3-one.

Molecular Properties

Compound Name(2R,4S)-2-(3,4-dimethoxyphenyl)-4-[(2S)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3-methyl-3,4-dihydro-2H-chromen-8-yl]-5,7-dimethoxy-4H-chromen-3-one
PubChem CID143904320
Molecular FormulaC39H42O11
Molecular Weight686.75 g/mol
Exact Mass686.27
IUPAC Name(2R,4S)-2-(3,4-dimethoxyphenyl)-4-[(2S)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3-methyl-3,4-dihydro-2H-chromen-8-yl]-5,7-dimethoxy-4H-chromen-3-one
SMILESCOc1cc(OC)c2c(c1)O[C@H](c1ccc(OC)c(OC)c1)C(=O)[C@@H]2c1c(OC)cc(OC)c2c1O[C@H](c1ccc(OC)c(OC)c1)C(C)C2
InChIInChI=1S/C39H42O11/c1-20-14-24-27(44-5)19-31(48-9)34(39(24)50-37(20)21-10-12-25(42-3)28(15-21)45-6)35-33-30(47-8)17-23(41-2)18-32(33)49-38(36(35)40)22-11-13-26(43-4)29(16-22)46-7/h10-13,15-20,35,37-38H,14H2,1-9H3/t20?,35-,37-,38+/m0/s1
InChIKeyUBZNFCCQZPFPOD-IDGAJRTCSA-N
XLogP6.90
TPSA109.37 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms50
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500686.75
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze (2R,4S)-2-(3,4-dimethoxyphenyl)-4-[(2S)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3-methyl-3,4-dihydro-2H-chromen-8-yl]-5,7-dimethoxy-4H-chromen-3-one with MolForge

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Related Compounds

2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3-methyl-3,4-dihydro-2H-chromene
CID 22094936
5-[4-[4-[2-(3,4-dimethoxyphenyl)-3,5,7-trimethoxy-3,4-dihydro-2H-chromen-8-yl]-2-(3-formyl-4-methoxyphenyl)-3,5,7-trimethoxy-3,4-dihydro-2H-chromen-8-yl]-3,5,7-trimethoxy-3,4-dihydro-2H-chromen-2-yl]-2-methoxybenzaldehyde
CID 22971910
(3R)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-3-ol
CID 102352404
(2S,3S)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3-(2,4,6-trimethoxyphenyl)-2,3-dihydrochromen-4-one
CID 118983376
(1R,5R,6R,13S,21R)-5,13-bis(3,4-dimethoxyphenyl)-6,9,17,19-tetramethoxy-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2,8,10,15(20),16,18-hexaen-21-ol
CID 23252145
2-(3,4-dimethoxyphenyl)-6,8-dimethoxy-2,3-dihydro-1,5-benzodioxepin-4-one
CID 10872101
(2R,3S)-2-(3,4-dimethoxyphenyl)-8-iodo-5,7-dimethoxy-3,4-dihydro-2H-chromen-3-ol
CID 6708556
(2S,3S)-2-(3,4-dimethoxyphenyl)-3,5,7-trimethoxy-2,3-dihydrochromen-4-one
CID 23270520
2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromene
CID 13045742
[(2R,3R)-8-[(2R,4R)-2-(3,4-dimethoxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-yl]-5,7-dimethoxy-2-(2,3,4-trimethoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] acetate
CID 100945228
2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-4H-chromen-3-one
CID 175541735
[(2S,3S)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-4-oxo-2,3-dihydrochromen-3-yl] acetate
CID 91727421

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2-(3,4-dimethoxyphenyl)-4-[(2S)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3-methyl-3,4-dihydro-2H-chromen-8-yl]-5,7-dimethoxy-4H-chromen-3-one?
The IUPAC name of (2R,4S)-2-(3,4-dimethoxyphenyl)-4-[(2S)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3-methyl-3,4-dihydro-2H-chromen-8-yl]-5,7-dimethoxy-4H-chromen-3-one (CID 143904320) is (2R,4S)-2-(3,4-dimethoxyphenyl)-4-[(2S)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3-methyl-3,4-dihydro-2H-chromen-8-yl]-5,7-dimethoxy-4H-chromen-3-one.
What is the SMILES notation for (2R,4S)-2-(3,4-dimethoxyphenyl)-4-[(2S)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3-methyl-3,4-dihydro-2H-chromen-8-yl]-5,7-dimethoxy-4H-chromen-3-one?
The canonical SMILES for (2R,4S)-2-(3,4-dimethoxyphenyl)-4-[(2S)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3-methyl-3,4-dihydro-2H-chromen-8-yl]-5,7-dimethoxy-4H-chromen-3-one is COc1cc(OC)c2c(c1)O[C@H](c1ccc(OC)c(OC)c1)C(=O)[C@@H]2c1c(OC)cc(OC)c2c1O[C@H](c1ccc(OC)c(OC)c1)C(C)C2.
What is the InChIKey of (2R,4S)-2-(3,4-dimethoxyphenyl)-4-[(2S)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3-methyl-3,4-dihydro-2H-chromen-8-yl]-5,7-dimethoxy-4H-chromen-3-one?
The InChIKey is UBZNFCCQZPFPOD-IDGAJRTCSA-N. The full InChI is InChI=1S/C39H42O11/c1-20-14-24-27(44-5)19-31(48-9)34(39(24)50-37(20)21-10-12-25(42-3)28(15-21)45-6)35-33-30(47-8)17-23(41-2)18-32(33)49-38(36(35)40)22-11-13-26(43-4)29(16-22)46-7/h10-13,15-20,35,37-38H,14H2,1-9H3/t20?,35-,37-,38+/m0/s1.
What are the key properties of (2R,4S)-2-(3,4-dimethoxyphenyl)-4-[(2S)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3-methyl-3,4-dihydro-2H-chromen-8-yl]-5,7-dimethoxy-4H-chromen-3-one?
(2R,4S)-2-(3,4-dimethoxyphenyl)-4-[(2S)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3-methyl-3,4-dihydro-2H-chromen-8-yl]-5,7-dimethoxy-4H-chromen-3-one has a molecular weight of 686.75 g/mol, XLogP of 6.90, 11 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-(3,4-dimethoxyphenyl)-4-[(2S)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3-methyl-3,4-dihydro-2H-chromen-8-yl]-5,7-dimethoxy-4H-chromen-3-one is sourced from PubChem (CID 143904320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).