2,7-dimethyl-9-phenyl-9H-xanthene

C21H18O — CID 22643678

IUPAC2,7-dimethyl-9-phenyl-9H-xanthene
SMILESCc1ccc2c(c1)C(c1ccccc1)c1cc(C)ccc1O2
InChIInChI=1S/C21H18O/c1-14-8-10-19-17(12-14)21(16-6-4-3-5-7-16)18-13-15(2)9-11-20(18)22-19/h3-13,21H,1-2H3
InChIKeyGMOGEWBIEQKLAT-UHFFFAOYSA-N
MW286.37 g/mol
LogP5.59
Rot. Bonds1

About 2,7-dimethyl-9-phenyl-9H-xanthene

2,7-dimethyl-9-phenyl-9H-xanthene (PubChem CID 22643678) has the molecular formula C21H18O and a molecular weight of 286.37 g/mol. Its IUPAC name is 2,7-dimethyl-9-phenyl-9H-xanthene.

Molecular Properties

Compound Name2,7-dimethyl-9-phenyl-9H-xanthene
PubChem CID22643678
Molecular FormulaC21H18O
Molecular Weight286.37 g/mol
Exact Mass286.14
IUPAC Name2,7-dimethyl-9-phenyl-9H-xanthene
SMILESCc1ccc2c(c1)C(c1ccccc1)c1cc(C)ccc1O2
InChIInChI=1S/C21H18O/c1-14-8-10-19-17(12-14)21(16-6-4-3-5-7-16)18-13-15(2)9-11-20(18)22-19/h3-13,21H,1-2H3
InChIKeyGMOGEWBIEQKLAT-UHFFFAOYSA-N
XLogP5.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.37
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-9-phenyl-9H-xanthene?
The IUPAC name of 2,7-dimethyl-9-phenyl-9H-xanthene (CID 22643678) is 2,7-dimethyl-9-phenyl-9H-xanthene.
What is the SMILES notation for 2,7-dimethyl-9-phenyl-9H-xanthene?
The canonical SMILES for 2,7-dimethyl-9-phenyl-9H-xanthene is Cc1ccc2c(c1)C(c1ccccc1)c1cc(C)ccc1O2.
What is the InChIKey of 2,7-dimethyl-9-phenyl-9H-xanthene?
The InChIKey is GMOGEWBIEQKLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O/c1-14-8-10-19-17(12-14)21(16-6-4-3-5-7-16)18-13-15(2)9-11-20(18)22-19/h3-13,21H,1-2H3.
What are the key properties of 2,7-dimethyl-9-phenyl-9H-xanthene?
2,7-dimethyl-9-phenyl-9H-xanthene has a molecular weight of 286.37 g/mol, XLogP of 5.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-9-phenyl-9H-xanthene is sourced from PubChem (CID 22643678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).