2-tert-butyl-6-(4-methylphenyl)-2H-chromene

C20H22O — CID 172858430

IUPAC2-tert-butyl-6-(4-methylphenyl)-2H-chromene
SMILESCc1ccc(-c2ccc3c(c2)C=CC(C(C)(C)C)O3)cc1
InChIInChI=1S/C20H22O/c1-14-5-7-15(8-6-14)16-9-11-18-17(13-16)10-12-19(21-18)20(2,3)4/h5-13,19H,1-4H3
InChIKeyZAIVIWVNTVNGSK-UHFFFAOYSA-N
MW278.40 g/mol
LogP5.48
Rot. Bonds1

About 2-tert-butyl-6-(4-methylphenyl)-2H-chromene

2-tert-butyl-6-(4-methylphenyl)-2H-chromene (PubChem CID 172858430) has the molecular formula C20H22O and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-tert-butyl-6-(4-methylphenyl)-2H-chromene.

Molecular Properties

Compound Name2-tert-butyl-6-(4-methylphenyl)-2H-chromene
PubChem CID172858430
Molecular FormulaC20H22O
Molecular Weight278.40 g/mol
Exact Mass278.17
IUPAC Name2-tert-butyl-6-(4-methylphenyl)-2H-chromene
SMILESCc1ccc(-c2ccc3c(c2)C=CC(C(C)(C)C)O3)cc1
InChIInChI=1S/C20H22O/c1-14-5-7-15(8-6-14)16-9-11-18-17(13-16)10-12-19(21-18)20(2,3)4/h5-13,19H,1-4H3
InChIKeyZAIVIWVNTVNGSK-UHFFFAOYSA-N
XLogP5.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.40
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(4-methylphenyl)-2H-chromene?
The IUPAC name of 2-tert-butyl-6-(4-methylphenyl)-2H-chromene (CID 172858430) is 2-tert-butyl-6-(4-methylphenyl)-2H-chromene.
What is the SMILES notation for 2-tert-butyl-6-(4-methylphenyl)-2H-chromene?
The canonical SMILES for 2-tert-butyl-6-(4-methylphenyl)-2H-chromene is Cc1ccc(-c2ccc3c(c2)C=CC(C(C)(C)C)O3)cc1.
What is the InChIKey of 2-tert-butyl-6-(4-methylphenyl)-2H-chromene?
The InChIKey is ZAIVIWVNTVNGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O/c1-14-5-7-15(8-6-14)16-9-11-18-17(13-16)10-12-19(21-18)20(2,3)4/h5-13,19H,1-4H3.
What are the key properties of 2-tert-butyl-6-(4-methylphenyl)-2H-chromene?
2-tert-butyl-6-(4-methylphenyl)-2H-chromene has a molecular weight of 278.40 g/mol, XLogP of 5.48, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(4-methylphenyl)-2H-chromene is sourced from PubChem (CID 172858430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).