2-[(1R)-1-[(2S)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-8-yl]-3-phenylpropyl]phenol

C34H36O6 — CID 10626277

IUPAC2-[(1R)-1-[(2S)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-8-yl]-3-phenylpropyl]phenol
SMILESCOc1ccc([C@@H]2CCc3c(OC)cc(OC)c([C@H](CCc4ccccc4)c4ccccc4O)c3O2)cc1OC
InChIInChI=1S/C34H36O6/c1-36-29-18-15-23(20-31(29)38-3)28-19-17-26-30(37-2)21-32(39-4)33(34(26)40-28)25(24-12-8-9-13-27(24)35)16-14-22-10-6-5-7-11-22/h5-13,15,18,20-21,25,28,35H,14,16-17,19H2,1-4H3/t25-,28+/m1/s1
InChIKeyQVQCGUKZONAGFJ-NAKRPHOHSA-N
MW540.66 g/mol
LogP7.26
Rot. Bonds10

About 2-[(1R)-1-[(2S)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-8-yl]-3-phenylpropyl]phenol

2-[(1R)-1-[(2S)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-8-yl]-3-phenylpropyl]phenol (PubChem CID 10626277) has the molecular formula C34H36O6 and a molecular weight of 540.66 g/mol. Its IUPAC name is 2-[(1R)-1-[(2S)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-8-yl]-3-phenylpropyl]phenol.

Molecular Properties

Compound Name2-[(1R)-1-[(2S)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-8-yl]-3-phenylpropyl]phenol
PubChem CID10626277
Molecular FormulaC34H36O6
Molecular Weight540.66 g/mol
Exact Mass540.25
IUPAC Name2-[(1R)-1-[(2S)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-8-yl]-3-phenylpropyl]phenol
SMILESCOc1ccc([C@@H]2CCc3c(OC)cc(OC)c([C@H](CCc4ccccc4)c4ccccc4O)c3O2)cc1OC
InChIInChI=1S/C34H36O6/c1-36-29-18-15-23(20-31(29)38-3)28-19-17-26-30(37-2)21-32(39-4)33(34(26)40-28)25(24-12-8-9-13-27(24)35)16-14-22-10-6-5-7-11-22/h5-13,15,18,20-21,25,28,35H,14,16-17,19H2,1-4H3/t25-,28+/m1/s1
InChIKeyQVQCGUKZONAGFJ-NAKRPHOHSA-N
XLogP7.26
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.66
LogP ≤ 57.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-[(2S)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-8-yl]-3-phenylpropyl]phenol?
The IUPAC name of 2-[(1R)-1-[(2S)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-8-yl]-3-phenylpropyl]phenol (CID 10626277) is 2-[(1R)-1-[(2S)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-8-yl]-3-phenylpropyl]phenol.
What is the SMILES notation for 2-[(1R)-1-[(2S)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-8-yl]-3-phenylpropyl]phenol?
The canonical SMILES for 2-[(1R)-1-[(2S)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-8-yl]-3-phenylpropyl]phenol is COc1ccc([C@@H]2CCc3c(OC)cc(OC)c([C@H](CCc4ccccc4)c4ccccc4O)c3O2)cc1OC.
What is the InChIKey of 2-[(1R)-1-[(2S)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-8-yl]-3-phenylpropyl]phenol?
The InChIKey is QVQCGUKZONAGFJ-NAKRPHOHSA-N. The full InChI is InChI=1S/C34H36O6/c1-36-29-18-15-23(20-31(29)38-3)28-19-17-26-30(37-2)21-32(39-4)33(34(26)40-28)25(24-12-8-9-13-27(24)35)16-14-22-10-6-5-7-11-22/h5-13,15,18,20-21,25,28,35H,14,16-17,19H2,1-4H3/t25-,28+/m1/s1.
What are the key properties of 2-[(1R)-1-[(2S)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-8-yl]-3-phenylpropyl]phenol?
2-[(1R)-1-[(2S)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-8-yl]-3-phenylpropyl]phenol has a molecular weight of 540.66 g/mol, XLogP of 7.26, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-[(2S)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-8-yl]-3-phenylpropyl]phenol is sourced from PubChem (CID 10626277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).