6-tert-butyl-2-phenyl-2H-chromene

C19H20O — CID 12601693

IUPAC6-tert-butyl-2-phenyl-2H-chromene
SMILESCC(C)(C)c1ccc2c(c1)C=CC(c1ccccc1)O2
InChIInChI=1S/C19H20O/c1-19(2,3)16-10-12-18-15(13-16)9-11-17(20-18)14-7-5-4-6-8-14/h4-13,17H,1-3H3
InChIKeyAKZUFLVLYOZIOI-UHFFFAOYSA-N
MW264.37 g/mol
LogP5.13
Rot. Bonds1

About 6-tert-butyl-2-phenyl-2H-chromene

6-tert-butyl-2-phenyl-2H-chromene (PubChem CID 12601693) has the molecular formula C19H20O and a molecular weight of 264.37 g/mol. Its IUPAC name is 6-tert-butyl-2-phenyl-2H-chromene.

Molecular Properties

Compound Name6-tert-butyl-2-phenyl-2H-chromene
PubChem CID12601693
Molecular FormulaC19H20O
Molecular Weight264.37 g/mol
Exact Mass264.15
IUPAC Name6-tert-butyl-2-phenyl-2H-chromene
SMILESCC(C)(C)c1ccc2c(c1)C=CC(c1ccccc1)O2
InChIInChI=1S/C19H20O/c1-19(2,3)16-10-12-18-15(13-16)9-11-17(20-18)14-7-5-4-6-8-14/h4-13,17H,1-3H3
InChIKeyAKZUFLVLYOZIOI-UHFFFAOYSA-N
XLogP5.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.37
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-phenyl-2H-chromene?
The IUPAC name of 6-tert-butyl-2-phenyl-2H-chromene (CID 12601693) is 6-tert-butyl-2-phenyl-2H-chromene.
What is the SMILES notation for 6-tert-butyl-2-phenyl-2H-chromene?
The canonical SMILES for 6-tert-butyl-2-phenyl-2H-chromene is CC(C)(C)c1ccc2c(c1)C=CC(c1ccccc1)O2.
What is the InChIKey of 6-tert-butyl-2-phenyl-2H-chromene?
The InChIKey is AKZUFLVLYOZIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O/c1-19(2,3)16-10-12-18-15(13-16)9-11-17(20-18)14-7-5-4-6-8-14/h4-13,17H,1-3H3.
What are the key properties of 6-tert-butyl-2-phenyl-2H-chromene?
6-tert-butyl-2-phenyl-2H-chromene has a molecular weight of 264.37 g/mol, XLogP of 5.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-phenyl-2H-chromene is sourced from PubChem (CID 12601693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).