9-(2,3-diethylphenyl)-9H-xanthene

C23H22O — CID 67026470

IUPAC9-(2,3-diethylphenyl)-9H-xanthene
SMILESCCc1cccc(C2c3ccccc3Oc3ccccc32)c1CC
InChIInChI=1S/C23H22O/c1-3-16-10-9-13-18(17(16)4-2)23-19-11-5-7-14-21(19)24-22-15-8-6-12-20(22)23/h5-15,23H,3-4H2,1-2H3
InChIKeyBVYWBFSCAKNYDK-UHFFFAOYSA-N
MW314.43 g/mol
LogP6.10
Rot. Bonds3

About 9-(2,3-diethylphenyl)-9H-xanthene

9-(2,3-diethylphenyl)-9H-xanthene (PubChem CID 67026470) has the molecular formula C23H22O and a molecular weight of 314.43 g/mol. Its IUPAC name is 9-(2,3-diethylphenyl)-9H-xanthene.

Molecular Properties

Compound Name9-(2,3-diethylphenyl)-9H-xanthene
PubChem CID67026470
Molecular FormulaC23H22O
Molecular Weight314.43 g/mol
Exact Mass314.17
IUPAC Name9-(2,3-diethylphenyl)-9H-xanthene
SMILESCCc1cccc(C2c3ccccc3Oc3ccccc32)c1CC
InChIInChI=1S/C23H22O/c1-3-16-10-9-13-18(17(16)4-2)23-19-11-5-7-14-21(19)24-22-15-8-6-12-20(22)23/h5-15,23H,3-4H2,1-2H3
InChIKeyBVYWBFSCAKNYDK-UHFFFAOYSA-N
XLogP6.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.43
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-(2,3-diethylphenyl)-9H-xanthene?
The IUPAC name of 9-(2,3-diethylphenyl)-9H-xanthene (CID 67026470) is 9-(2,3-diethylphenyl)-9H-xanthene.
What is the SMILES notation for 9-(2,3-diethylphenyl)-9H-xanthene?
The canonical SMILES for 9-(2,3-diethylphenyl)-9H-xanthene is CCc1cccc(C2c3ccccc3Oc3ccccc32)c1CC.
What is the InChIKey of 9-(2,3-diethylphenyl)-9H-xanthene?
The InChIKey is BVYWBFSCAKNYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O/c1-3-16-10-9-13-18(17(16)4-2)23-19-11-5-7-14-21(19)24-22-15-8-6-12-20(22)23/h5-15,23H,3-4H2,1-2H3.
What are the key properties of 9-(2,3-diethylphenyl)-9H-xanthene?
9-(2,3-diethylphenyl)-9H-xanthene has a molecular weight of 314.43 g/mol, XLogP of 6.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,3-diethylphenyl)-9H-xanthene is sourced from PubChem (CID 67026470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).