(2R,4S)-4-[[(2R,4S)-5,7-dimethoxy-8-(3-methylbut-2-enyl)-2-phenyl-3,4-dihydro-2H-chromen-4-yl]oxy]-5,7-dimethoxy-8-(3-methylbut-2-enyl)-2-phenyl-3,4-dihydro-2H-chromene

C44H50O7 — CID 163036837

IUPAC(2R,4S)-4-[[(2R,4S)-5,7-dimethoxy-8-(3-methylbut-2-enyl)-2-phenyl-3,4-dihydro-2H-chromen-4-yl]oxy]-5,7-dimethoxy-8-(3-methylbut-2-enyl)-2-phenyl-3,4-dihydro-2H-chromene
SMILESCOc1cc(OC)c2c(c1CC=C(C)C)O[C@@H](c1ccccc1)C[C@@H]2O[C@H]1C[C@H](c2ccccc2)Oc2c(CC=C(C)C)c(OC)cc(OC)c21
InChIInChI=1S/C44H50O7/c1-27(2)19-21-31-35(45-5)25-37(47-7)41-39(23-33(50-43(31)41)29-15-11-9-12-16-29)49-40-24-34(30-17-13-10-14-18-30)51-44-32(22-20-28(3)4)36(46-6)26-38(48-8)42(40)44/h9-20,25-26,33-34,39-40H,21-24H2,1-8H3/t33-,34-,39+,40+/m1/s1
InChIKeyPKXHLBVZXRTVFA-HVPIWBAOSA-N
MW690.88 g/mol
LogP10.59
Rot. Bonds12

About (2R,4S)-4-[[(2R,4S)-5,7-dimethoxy-8-(3-methylbut-2-enyl)-2-phenyl-3,4-dihydro-2H-chromen-4-yl]oxy]-5,7-dimethoxy-8-(3-methylbut-2-enyl)-2-phenyl-3,4-dihydro-2H-chromene

(2R,4S)-4-[[(2R,4S)-5,7-dimethoxy-8-(3-methylbut-2-enyl)-2-phenyl-3,4-dihydro-2H-chromen-4-yl]oxy]-5,7-dimethoxy-8-(3-methylbut-2-enyl)-2-phenyl-3,4-dihydro-2H-chromene (PubChem CID 163036837) has the molecular formula C44H50O7 and a molecular weight of 690.88 g/mol. Its IUPAC name is (2R,4S)-4-[[(2R,4S)-5,7-dimethoxy-8-(3-methylbut-2-enyl)-2-phenyl-3,4-dihydro-2H-chromen-4-yl]oxy]-5,7-dimethoxy-8-(3-methylbut-2-enyl)-2-phenyl-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name(2R,4S)-4-[[(2R,4S)-5,7-dimethoxy-8-(3-methylbut-2-enyl)-2-phenyl-3,4-dihydro-2H-chromen-4-yl]oxy]-5,7-dimethoxy-8-(3-methylbut-2-enyl)-2-phenyl-3,4-dihydro-2H-chromene
PubChem CID163036837
Molecular FormulaC44H50O7
Molecular Weight690.88 g/mol
Exact Mass690.36
IUPAC Name(2R,4S)-4-[[(2R,4S)-5,7-dimethoxy-8-(3-methylbut-2-enyl)-2-phenyl-3,4-dihydro-2H-chromen-4-yl]oxy]-5,7-dimethoxy-8-(3-methylbut-2-enyl)-2-phenyl-3,4-dihydro-2H-chromene
SMILESCOc1cc(OC)c2c(c1CC=C(C)C)O[C@@H](c1ccccc1)C[C@@H]2O[C@H]1C[C@H](c2ccccc2)Oc2c(CC=C(C)C)c(OC)cc(OC)c21
InChIInChI=1S/C44H50O7/c1-27(2)19-21-31-35(45-5)25-37(47-7)41-39(23-33(50-43(31)41)29-15-11-9-12-16-29)49-40-24-34(30-17-13-10-14-18-30)51-44-32(22-20-28(3)4)36(46-6)26-38(48-8)42(40)44/h9-20,25-26,33-34,39-40H,21-24H2,1-8H3/t33-,34-,39+,40+/m1/s1
InChIKeyPKXHLBVZXRTVFA-HVPIWBAOSA-N
XLogP10.59
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.88
LogP ≤ 510.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2R,4S)-4-[[(2R,4S)-5,7-dimethoxy-8-(3-methylbut-2-enyl)-2-phenyl-3,4-dihydro-2H-chromen-4-yl]oxy]-5,7-dimethoxy-8-(3-methylbut-2-enyl)-2-phenyl-3,4-dihydro-2H-chromene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-[[(2R,4S)-5,7-dimethoxy-8-(3-methylbut-2-enyl)-2-phenyl-3,4-dihydro-2H-chromen-4-yl]oxy]-5,7-dimethoxy-8-(3-methylbut-2-enyl)-2-phenyl-3,4-dihydro-2H-chromene?
The IUPAC name of (2R,4S)-4-[[(2R,4S)-5,7-dimethoxy-8-(3-methylbut-2-enyl)-2-phenyl-3,4-dihydro-2H-chromen-4-yl]oxy]-5,7-dimethoxy-8-(3-methylbut-2-enyl)-2-phenyl-3,4-dihydro-2H-chromene (CID 163036837) is (2R,4S)-4-[[(2R,4S)-5,7-dimethoxy-8-(3-methylbut-2-enyl)-2-phenyl-3,4-dihydro-2H-chromen-4-yl]oxy]-5,7-dimethoxy-8-(3-methylbut-2-enyl)-2-phenyl-3,4-dihydro-2H-chromene.
What is the SMILES notation for (2R,4S)-4-[[(2R,4S)-5,7-dimethoxy-8-(3-methylbut-2-enyl)-2-phenyl-3,4-dihydro-2H-chromen-4-yl]oxy]-5,7-dimethoxy-8-(3-methylbut-2-enyl)-2-phenyl-3,4-dihydro-2H-chromene?
The canonical SMILES for (2R,4S)-4-[[(2R,4S)-5,7-dimethoxy-8-(3-methylbut-2-enyl)-2-phenyl-3,4-dihydro-2H-chromen-4-yl]oxy]-5,7-dimethoxy-8-(3-methylbut-2-enyl)-2-phenyl-3,4-dihydro-2H-chromene is COc1cc(OC)c2c(c1CC=C(C)C)O[C@@H](c1ccccc1)C[C@@H]2O[C@H]1C[C@H](c2ccccc2)Oc2c(CC=C(C)C)c(OC)cc(OC)c21.
What is the InChIKey of (2R,4S)-4-[[(2R,4S)-5,7-dimethoxy-8-(3-methylbut-2-enyl)-2-phenyl-3,4-dihydro-2H-chromen-4-yl]oxy]-5,7-dimethoxy-8-(3-methylbut-2-enyl)-2-phenyl-3,4-dihydro-2H-chromene?
The InChIKey is PKXHLBVZXRTVFA-HVPIWBAOSA-N. The full InChI is InChI=1S/C44H50O7/c1-27(2)19-21-31-35(45-5)25-37(47-7)41-39(23-33(50-43(31)41)29-15-11-9-12-16-29)49-40-24-34(30-17-13-10-14-18-30)51-44-32(22-20-28(3)4)36(46-6)26-38(48-8)42(40)44/h9-20,25-26,33-34,39-40H,21-24H2,1-8H3/t33-,34-,39+,40+/m1/s1.
What are the key properties of (2R,4S)-4-[[(2R,4S)-5,7-dimethoxy-8-(3-methylbut-2-enyl)-2-phenyl-3,4-dihydro-2H-chromen-4-yl]oxy]-5,7-dimethoxy-8-(3-methylbut-2-enyl)-2-phenyl-3,4-dihydro-2H-chromene?
(2R,4S)-4-[[(2R,4S)-5,7-dimethoxy-8-(3-methylbut-2-enyl)-2-phenyl-3,4-dihydro-2H-chromen-4-yl]oxy]-5,7-dimethoxy-8-(3-methylbut-2-enyl)-2-phenyl-3,4-dihydro-2H-chromene has a molecular weight of 690.88 g/mol, XLogP of 10.59, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-[[(2R,4S)-5,7-dimethoxy-8-(3-methylbut-2-enyl)-2-phenyl-3,4-dihydro-2H-chromen-4-yl]oxy]-5,7-dimethoxy-8-(3-methylbut-2-enyl)-2-phenyl-3,4-dihydro-2H-chromene is sourced from PubChem (CID 163036837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).