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

C24H24O2 — CID 16746399

IUPAC(2S,4S)-4-(4-methoxyphenyl)-5,7-dimethyl-2-phenyl-3,4-dihydro-2H-chromene
SMILESCOc1ccc([C@@H]2C[C@@H](c3ccccc3)Oc3cc(C)cc(C)c32)cc1
InChIInChI=1S/C24H24O2/c1-16-13-17(2)24-21(18-9-11-20(25-3)12-10-18)15-22(26-23(24)14-16)19-7-5-4-6-8-19/h4-14,21-22H,15H2,1-3H3/t21-,22-/m0/s1
InChIKeyBUIPSHQTUUBPIM-VXKWHMMOSA-N
MW344.45 g/mol
LogP5.97
Rot. Bonds3

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

(2S,4S)-4-(4-methoxyphenyl)-5,7-dimethyl-2-phenyl-3,4-dihydro-2H-chromene (PubChem CID 16746399) has the molecular formula C24H24O2 and a molecular weight of 344.45 g/mol. Its IUPAC name is (2S,4S)-4-(4-methoxyphenyl)-5,7-dimethyl-2-phenyl-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name(2S,4S)-4-(4-methoxyphenyl)-5,7-dimethyl-2-phenyl-3,4-dihydro-2H-chromene
PubChem CID16746399
Molecular FormulaC24H24O2
Molecular Weight344.45 g/mol
Exact Mass344.18
IUPAC Name(2S,4S)-4-(4-methoxyphenyl)-5,7-dimethyl-2-phenyl-3,4-dihydro-2H-chromene
SMILESCOc1ccc([C@@H]2C[C@@H](c3ccccc3)Oc3cc(C)cc(C)c32)cc1
InChIInChI=1S/C24H24O2/c1-16-13-17(2)24-21(18-9-11-20(25-3)12-10-18)15-22(26-23(24)14-16)19-7-5-4-6-8-19/h4-14,21-22H,15H2,1-3H3/t21-,22-/m0/s1
InChIKeyBUIPSHQTUUBPIM-VXKWHMMOSA-N
XLogP5.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.45
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-(4-methoxyphenyl)-5,7-dimethyl-2-phenyl-3,4-dihydro-2H-chromene?
The IUPAC name of (2S,4S)-4-(4-methoxyphenyl)-5,7-dimethyl-2-phenyl-3,4-dihydro-2H-chromene (CID 16746399) is (2S,4S)-4-(4-methoxyphenyl)-5,7-dimethyl-2-phenyl-3,4-dihydro-2H-chromene.
What is the SMILES notation for (2S,4S)-4-(4-methoxyphenyl)-5,7-dimethyl-2-phenyl-3,4-dihydro-2H-chromene?
The canonical SMILES for (2S,4S)-4-(4-methoxyphenyl)-5,7-dimethyl-2-phenyl-3,4-dihydro-2H-chromene is COc1ccc([C@@H]2C[C@@H](c3ccccc3)Oc3cc(C)cc(C)c32)cc1.
What is the InChIKey of (2S,4S)-4-(4-methoxyphenyl)-5,7-dimethyl-2-phenyl-3,4-dihydro-2H-chromene?
The InChIKey is BUIPSHQTUUBPIM-VXKWHMMOSA-N. The full InChI is InChI=1S/C24H24O2/c1-16-13-17(2)24-21(18-9-11-20(25-3)12-10-18)15-22(26-23(24)14-16)19-7-5-4-6-8-19/h4-14,21-22H,15H2,1-3H3/t21-,22-/m0/s1.
What are the key properties of (2S,4S)-4-(4-methoxyphenyl)-5,7-dimethyl-2-phenyl-3,4-dihydro-2H-chromene?
(2S,4S)-4-(4-methoxyphenyl)-5,7-dimethyl-2-phenyl-3,4-dihydro-2H-chromene has a molecular weight of 344.45 g/mol, XLogP of 5.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-(4-methoxyphenyl)-5,7-dimethyl-2-phenyl-3,4-dihydro-2H-chromene is sourced from PubChem (CID 16746399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).