2,2-dimethyl-6-phenyl-8-propan-2-yl-3,4-dihydrochromene

C20H24O — CID 45255973

IUPAC2,2-dimethyl-6-phenyl-8-propan-2-yl-3,4-dihydrochromene
SMILESCC(C)c1cc(-c2ccccc2)cc2c1OC(C)(C)CC2
InChIInChI=1S/C20H24O/c1-14(2)18-13-17(15-8-6-5-7-9-15)12-16-10-11-20(3,4)21-19(16)18/h5-9,12-14H,10-11H2,1-4H3
InChIKeyWHLGFINTPZDHIM-UHFFFAOYSA-N
MW280.41 g/mol
LogP5.58
Rot. Bonds2

About 2,2-dimethyl-6-phenyl-8-propan-2-yl-3,4-dihydrochromene

2,2-dimethyl-6-phenyl-8-propan-2-yl-3,4-dihydrochromene (PubChem CID 45255973) has the molecular formula C20H24O and a molecular weight of 280.41 g/mol. Its IUPAC name is 2,2-dimethyl-6-phenyl-8-propan-2-yl-3,4-dihydrochromene.

Molecular Properties

Compound Name2,2-dimethyl-6-phenyl-8-propan-2-yl-3,4-dihydrochromene
PubChem CID45255973
Molecular FormulaC20H24O
Molecular Weight280.41 g/mol
Exact Mass280.18
IUPAC Name2,2-dimethyl-6-phenyl-8-propan-2-yl-3,4-dihydrochromene
SMILESCC(C)c1cc(-c2ccccc2)cc2c1OC(C)(C)CC2
InChIInChI=1S/C20H24O/c1-14(2)18-13-17(15-8-6-5-7-9-15)12-16-10-11-20(3,4)21-19(16)18/h5-9,12-14H,10-11H2,1-4H3
InChIKeyWHLGFINTPZDHIM-UHFFFAOYSA-N
XLogP5.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.41
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-phenyl-8-propan-2-yl-3,4-dihydrochromene?
The IUPAC name of 2,2-dimethyl-6-phenyl-8-propan-2-yl-3,4-dihydrochromene (CID 45255973) is 2,2-dimethyl-6-phenyl-8-propan-2-yl-3,4-dihydrochromene.
What is the SMILES notation for 2,2-dimethyl-6-phenyl-8-propan-2-yl-3,4-dihydrochromene?
The canonical SMILES for 2,2-dimethyl-6-phenyl-8-propan-2-yl-3,4-dihydrochromene is CC(C)c1cc(-c2ccccc2)cc2c1OC(C)(C)CC2.
What is the InChIKey of 2,2-dimethyl-6-phenyl-8-propan-2-yl-3,4-dihydrochromene?
The InChIKey is WHLGFINTPZDHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O/c1-14(2)18-13-17(15-8-6-5-7-9-15)12-16-10-11-20(3,4)21-19(16)18/h5-9,12-14H,10-11H2,1-4H3.
What are the key properties of 2,2-dimethyl-6-phenyl-8-propan-2-yl-3,4-dihydrochromene?
2,2-dimethyl-6-phenyl-8-propan-2-yl-3,4-dihydrochromene has a molecular weight of 280.41 g/mol, XLogP of 5.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-phenyl-8-propan-2-yl-3,4-dihydrochromene is sourced from PubChem (CID 45255973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).