(4R)-3-methyl-2-phenyl-4-(2-phenylethynyl)-4H-chromene

C24H18O — CID 7393042

IUPAC(4R)-3-methyl-2-phenyl-4-(2-phenylethynyl)-4H-chromene
SMILESCC1=C(c2ccccc2)Oc2ccccc2[C@@H]1C#Cc1ccccc1
InChIInChI=1S/C24H18O/c1-18-21(17-16-19-10-4-2-5-11-19)22-14-8-9-15-23(22)25-24(18)20-12-6-3-7-13-20/h2-15,21H,1H3/t21-/m1/s1
InChIKeyRVVPAXQYIFGEPC-OAQYLSRUSA-N
MW322.41 g/mol
LogP5.65
Rot. Bonds1

About (4R)-3-methyl-2-phenyl-4-(2-phenylethynyl)-4H-chromene

(4R)-3-methyl-2-phenyl-4-(2-phenylethynyl)-4H-chromene (PubChem CID 7393042) has the molecular formula C24H18O and a molecular weight of 322.41 g/mol. Its IUPAC name is (4R)-3-methyl-2-phenyl-4-(2-phenylethynyl)-4H-chromene.

Molecular Properties

Compound Name(4R)-3-methyl-2-phenyl-4-(2-phenylethynyl)-4H-chromene
PubChem CID7393042
Molecular FormulaC24H18O
Molecular Weight322.41 g/mol
Exact Mass322.14
IUPAC Name(4R)-3-methyl-2-phenyl-4-(2-phenylethynyl)-4H-chromene
SMILESCC1=C(c2ccccc2)Oc2ccccc2[C@@H]1C#Cc1ccccc1
InChIInChI=1S/C24H18O/c1-18-21(17-16-19-10-4-2-5-11-19)22-14-8-9-15-23(22)25-24(18)20-12-6-3-7-13-20/h2-15,21H,1H3/t21-/m1/s1
InChIKeyRVVPAXQYIFGEPC-OAQYLSRUSA-N
XLogP5.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.41
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-methyl-2-phenyl-4-(2-phenylethynyl)-4H-chromene?
The IUPAC name of (4R)-3-methyl-2-phenyl-4-(2-phenylethynyl)-4H-chromene (CID 7393042) is (4R)-3-methyl-2-phenyl-4-(2-phenylethynyl)-4H-chromene.
What is the SMILES notation for (4R)-3-methyl-2-phenyl-4-(2-phenylethynyl)-4H-chromene?
The canonical SMILES for (4R)-3-methyl-2-phenyl-4-(2-phenylethynyl)-4H-chromene is CC1=C(c2ccccc2)Oc2ccccc2[C@@H]1C#Cc1ccccc1.
What is the InChIKey of (4R)-3-methyl-2-phenyl-4-(2-phenylethynyl)-4H-chromene?
The InChIKey is RVVPAXQYIFGEPC-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H18O/c1-18-21(17-16-19-10-4-2-5-11-19)22-14-8-9-15-23(22)25-24(18)20-12-6-3-7-13-20/h2-15,21H,1H3/t21-/m1/s1.
What are the key properties of (4R)-3-methyl-2-phenyl-4-(2-phenylethynyl)-4H-chromene?
(4R)-3-methyl-2-phenyl-4-(2-phenylethynyl)-4H-chromene has a molecular weight of 322.41 g/mol, XLogP of 5.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-methyl-2-phenyl-4-(2-phenylethynyl)-4H-chromene is sourced from PubChem (CID 7393042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).