(2S,4S)-4-(4-methoxyphenyl)-8-methyl-2-phenyl-5-propan-2-yl-3,4-dihydro-2H-chromene

C26H28O2 — CID 24747426

IUPAC(2S,4S)-4-(4-methoxyphenyl)-8-methyl-2-phenyl-5-propan-2-yl-3,4-dihydro-2H-chromene
SMILESCOc1ccc([C@@H]2C[C@@H](c3ccccc3)Oc3c(C)ccc(C(C)C)c32)cc1
InChIInChI=1S/C26H28O2/c1-17(2)22-15-10-18(3)26-25(22)23(19-11-13-21(27-4)14-12-19)16-24(28-26)20-8-6-5-7-9-20/h5-15,17,23-24H,16H2,1-4H3/t23-,24-/m0/s1
InChIKeySKNHBIKYZAIJSJ-ZEQRLZLVSA-N
MW372.51 g/mol
LogP6.78
Rot. Bonds4

About (2S,4S)-4-(4-methoxyphenyl)-8-methyl-2-phenyl-5-propan-2-yl-3,4-dihydro-2H-chromene

(2S,4S)-4-(4-methoxyphenyl)-8-methyl-2-phenyl-5-propan-2-yl-3,4-dihydro-2H-chromene (PubChem CID 24747426) has the molecular formula C26H28O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is (2S,4S)-4-(4-methoxyphenyl)-8-methyl-2-phenyl-5-propan-2-yl-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name(2S,4S)-4-(4-methoxyphenyl)-8-methyl-2-phenyl-5-propan-2-yl-3,4-dihydro-2H-chromene
PubChem CID24747426
Molecular FormulaC26H28O2
Molecular Weight372.51 g/mol
Exact Mass372.21
IUPAC Name(2S,4S)-4-(4-methoxyphenyl)-8-methyl-2-phenyl-5-propan-2-yl-3,4-dihydro-2H-chromene
SMILESCOc1ccc([C@@H]2C[C@@H](c3ccccc3)Oc3c(C)ccc(C(C)C)c32)cc1
InChIInChI=1S/C26H28O2/c1-17(2)22-15-10-18(3)26-25(22)23(19-11-13-21(27-4)14-12-19)16-24(28-26)20-8-6-5-7-9-20/h5-15,17,23-24H,16H2,1-4H3/t23-,24-/m0/s1
InChIKeySKNHBIKYZAIJSJ-ZEQRLZLVSA-N
XLogP6.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.51
LogP ≤ 56.78
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)-8-methyl-2-phenyl-5-propan-2-yl-3,4-dihydro-2H-chromene?
The IUPAC name of (2S,4S)-4-(4-methoxyphenyl)-8-methyl-2-phenyl-5-propan-2-yl-3,4-dihydro-2H-chromene (CID 24747426) is (2S,4S)-4-(4-methoxyphenyl)-8-methyl-2-phenyl-5-propan-2-yl-3,4-dihydro-2H-chromene.
What is the SMILES notation for (2S,4S)-4-(4-methoxyphenyl)-8-methyl-2-phenyl-5-propan-2-yl-3,4-dihydro-2H-chromene?
The canonical SMILES for (2S,4S)-4-(4-methoxyphenyl)-8-methyl-2-phenyl-5-propan-2-yl-3,4-dihydro-2H-chromene is COc1ccc([C@@H]2C[C@@H](c3ccccc3)Oc3c(C)ccc(C(C)C)c32)cc1.
What is the InChIKey of (2S,4S)-4-(4-methoxyphenyl)-8-methyl-2-phenyl-5-propan-2-yl-3,4-dihydro-2H-chromene?
The InChIKey is SKNHBIKYZAIJSJ-ZEQRLZLVSA-N. The full InChI is InChI=1S/C26H28O2/c1-17(2)22-15-10-18(3)26-25(22)23(19-11-13-21(27-4)14-12-19)16-24(28-26)20-8-6-5-7-9-20/h5-15,17,23-24H,16H2,1-4H3/t23-,24-/m0/s1.
What are the key properties of (2S,4S)-4-(4-methoxyphenyl)-8-methyl-2-phenyl-5-propan-2-yl-3,4-dihydro-2H-chromene?
(2S,4S)-4-(4-methoxyphenyl)-8-methyl-2-phenyl-5-propan-2-yl-3,4-dihydro-2H-chromene has a molecular weight of 372.51 g/mol, XLogP of 6.78, 4 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)-8-methyl-2-phenyl-5-propan-2-yl-3,4-dihydro-2H-chromene is sourced from PubChem (CID 24747426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).