9,9-dimethyl-3-[[4-(2-methylpropyl)phenyl]methyl]xanthene

C26H28O — CID 155473594

IUPAC9,9-dimethyl-3-[[4-(2-methylpropyl)phenyl]methyl]xanthene
SMILESCC(C)Cc1ccc(Cc2ccc3c(c2)Oc2ccccc2C3(C)C)cc1
InChIInChI=1S/C26H28O/c1-18(2)15-19-9-11-20(12-10-19)16-21-13-14-23-25(17-21)27-24-8-6-5-7-22(24)26(23,3)4/h5-14,17-18H,15-16H2,1-4H3
InChIKeyRMPKHJYZUYVWNA-UHFFFAOYSA-N
MW356.51 g/mol
LogP6.91
Rot. Bonds4

About 9,9-dimethyl-3-[[4-(2-methylpropyl)phenyl]methyl]xanthene

9,9-dimethyl-3-[[4-(2-methylpropyl)phenyl]methyl]xanthene (PubChem CID 155473594) has the molecular formula C26H28O and a molecular weight of 356.51 g/mol. Its IUPAC name is 9,9-dimethyl-3-[[4-(2-methylpropyl)phenyl]methyl]xanthene.

Molecular Properties

Compound Name9,9-dimethyl-3-[[4-(2-methylpropyl)phenyl]methyl]xanthene
PubChem CID155473594
Molecular FormulaC26H28O
Molecular Weight356.51 g/mol
Exact Mass356.21
IUPAC Name9,9-dimethyl-3-[[4-(2-methylpropyl)phenyl]methyl]xanthene
SMILESCC(C)Cc1ccc(Cc2ccc3c(c2)Oc2ccccc2C3(C)C)cc1
InChIInChI=1S/C26H28O/c1-18(2)15-19-9-11-20(12-10-19)16-21-13-14-23-25(17-21)27-24-8-6-5-7-22(24)26(23,3)4/h5-14,17-18H,15-16H2,1-4H3
InChIKeyRMPKHJYZUYVWNA-UHFFFAOYSA-N
XLogP6.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.51
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-3-[[4-(2-methylpropyl)phenyl]methyl]xanthene?
The IUPAC name of 9,9-dimethyl-3-[[4-(2-methylpropyl)phenyl]methyl]xanthene (CID 155473594) is 9,9-dimethyl-3-[[4-(2-methylpropyl)phenyl]methyl]xanthene.
What is the SMILES notation for 9,9-dimethyl-3-[[4-(2-methylpropyl)phenyl]methyl]xanthene?
The canonical SMILES for 9,9-dimethyl-3-[[4-(2-methylpropyl)phenyl]methyl]xanthene is CC(C)Cc1ccc(Cc2ccc3c(c2)Oc2ccccc2C3(C)C)cc1.
What is the InChIKey of 9,9-dimethyl-3-[[4-(2-methylpropyl)phenyl]methyl]xanthene?
The InChIKey is RMPKHJYZUYVWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28O/c1-18(2)15-19-9-11-20(12-10-19)16-21-13-14-23-25(17-21)27-24-8-6-5-7-22(24)26(23,3)4/h5-14,17-18H,15-16H2,1-4H3.
What are the key properties of 9,9-dimethyl-3-[[4-(2-methylpropyl)phenyl]methyl]xanthene?
9,9-dimethyl-3-[[4-(2-methylpropyl)phenyl]methyl]xanthene has a molecular weight of 356.51 g/mol, XLogP of 6.91, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-3-[[4-(2-methylpropyl)phenyl]methyl]xanthene is sourced from PubChem (CID 155473594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).