(2S,4S)-5,7-dimethoxy-4-(4-methoxyphenyl)-2-phenyl-3,4-dihydro-2H-chromene

C24H24O4 — CID 16746398

IUPAC(2S,4S)-5,7-dimethoxy-4-(4-methoxyphenyl)-2-phenyl-3,4-dihydro-2H-chromene
SMILESCOc1ccc([C@@H]2C[C@@H](c3ccccc3)Oc3cc(OC)cc(OC)c32)cc1
InChIInChI=1S/C24H24O4/c1-25-18-11-9-16(10-12-18)20-15-21(17-7-5-4-6-8-17)28-23-14-19(26-2)13-22(27-3)24(20)23/h4-14,20-21H,15H2,1-3H3/t20-,21-/m0/s1
InChIKeyPLENBCPNCPBSNL-SFTDATJTSA-N
MW376.45 g/mol
LogP5.37
Rot. Bonds5

About (2S,4S)-5,7-dimethoxy-4-(4-methoxyphenyl)-2-phenyl-3,4-dihydro-2H-chromene

(2S,4S)-5,7-dimethoxy-4-(4-methoxyphenyl)-2-phenyl-3,4-dihydro-2H-chromene (PubChem CID 16746398) has the molecular formula C24H24O4 and a molecular weight of 376.45 g/mol. Its IUPAC name is (2S,4S)-5,7-dimethoxy-4-(4-methoxyphenyl)-2-phenyl-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name(2S,4S)-5,7-dimethoxy-4-(4-methoxyphenyl)-2-phenyl-3,4-dihydro-2H-chromene
PubChem CID16746398
Molecular FormulaC24H24O4
Molecular Weight376.45 g/mol
Exact Mass376.17
IUPAC Name(2S,4S)-5,7-dimethoxy-4-(4-methoxyphenyl)-2-phenyl-3,4-dihydro-2H-chromene
SMILESCOc1ccc([C@@H]2C[C@@H](c3ccccc3)Oc3cc(OC)cc(OC)c32)cc1
InChIInChI=1S/C24H24O4/c1-25-18-11-9-16(10-12-18)20-15-21(17-7-5-4-6-8-17)28-23-14-19(26-2)13-22(27-3)24(20)23/h4-14,20-21H,15H2,1-3H3/t20-,21-/m0/s1
InChIKeyPLENBCPNCPBSNL-SFTDATJTSA-N
XLogP5.37
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.45
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 91469
Glabridin
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Medicarpin
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3',7-Dihydroxy-2',4'-dimethoxyisoflavan
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Afzelechin
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(+)-Licoricidin
CID 480865
2,3',4,5'-Tetramethoxystilbene
CID 5354004
Phaseollidin
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(-)-Epiafzelechin
CID 443639
Glyceollin I
CID 162807

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-5,7-dimethoxy-4-(4-methoxyphenyl)-2-phenyl-3,4-dihydro-2H-chromene?
The IUPAC name of (2S,4S)-5,7-dimethoxy-4-(4-methoxyphenyl)-2-phenyl-3,4-dihydro-2H-chromene (CID 16746398) is (2S,4S)-5,7-dimethoxy-4-(4-methoxyphenyl)-2-phenyl-3,4-dihydro-2H-chromene.
What is the SMILES notation for (2S,4S)-5,7-dimethoxy-4-(4-methoxyphenyl)-2-phenyl-3,4-dihydro-2H-chromene?
The canonical SMILES for (2S,4S)-5,7-dimethoxy-4-(4-methoxyphenyl)-2-phenyl-3,4-dihydro-2H-chromene is COc1ccc([C@@H]2C[C@@H](c3ccccc3)Oc3cc(OC)cc(OC)c32)cc1.
What is the InChIKey of (2S,4S)-5,7-dimethoxy-4-(4-methoxyphenyl)-2-phenyl-3,4-dihydro-2H-chromene?
The InChIKey is PLENBCPNCPBSNL-SFTDATJTSA-N. The full InChI is InChI=1S/C24H24O4/c1-25-18-11-9-16(10-12-18)20-15-21(17-7-5-4-6-8-17)28-23-14-19(26-2)13-22(27-3)24(20)23/h4-14,20-21H,15H2,1-3H3/t20-,21-/m0/s1.
What are the key properties of (2S,4S)-5,7-dimethoxy-4-(4-methoxyphenyl)-2-phenyl-3,4-dihydro-2H-chromene?
(2S,4S)-5,7-dimethoxy-4-(4-methoxyphenyl)-2-phenyl-3,4-dihydro-2H-chromene has a molecular weight of 376.45 g/mol, XLogP of 5.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-5,7-dimethoxy-4-(4-methoxyphenyl)-2-phenyl-3,4-dihydro-2H-chromene is sourced from PubChem (CID 16746398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).