2-tert-butyl-9H-xanthene

C17H18O — CID 20815655

IUPAC2-tert-butyl-9H-xanthene
SMILESCC(C)(C)c1ccc2c(c1)Cc1ccccc1O2
InChIInChI=1S/C17H18O/c1-17(2,3)14-8-9-16-13(11-14)10-12-6-4-5-7-15(12)18-16/h4-9,11H,10H2,1-3H3
InChIKeyNHFZIIKNKMFYSX-UHFFFAOYSA-N
MW238.33 g/mol
LogP4.68
Rot. Bonds

About 2-tert-butyl-9H-xanthene

2-tert-butyl-9H-xanthene (PubChem CID 20815655) has the molecular formula C17H18O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-tert-butyl-9H-xanthene.

Molecular Properties

Compound Name2-tert-butyl-9H-xanthene
PubChem CID20815655
Molecular FormulaC17H18O
Molecular Weight238.33 g/mol
Exact Mass238.14
IUPAC Name2-tert-butyl-9H-xanthene
SMILESCC(C)(C)c1ccc2c(c1)Cc1ccccc1O2
InChIInChI=1S/C17H18O/c1-17(2,3)14-8-9-16-13(11-14)10-12-6-4-5-7-15(12)18-16/h4-9,11H,10H2,1-3H3
InChIKeyNHFZIIKNKMFYSX-UHFFFAOYSA-N
XLogP4.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9H-xanthene
CID 7107
12,14-dihydrochromeno[3,2-b]xanthene;ethane;methanol
CID 160728687
9H-xanthen-2-ol
CID 10219823
3-tert-butyl-5,5-difluoro-6H-benzo[b][1]benzoxepine
CID 134215020
anthracene;9H-xanthene
CID 141402821
biphenylene;9H-xanthene
CID 69049558
8-tert-butyl-3-fluoro-5,6-dihydrobenzo[b][1]benzoxepine
CID 70799701
8-tert-butyl-5,6-dihydro-[1]benzoxepino[3,2-b]pyridine
CID 134214968
2-(1-chloroethyl)-9H-xanthene
CID 18544576
13,13,14,14-tetramethyl-2-oxatetracyclo[8.6.0.03,8.012,15]hexadeca-1(16),3,5,7,10,12(15)-hexaene
CID 146512597
2,3-diethyl-9H-xanthene
CID 174888406
2-tert-butyl-5,6-dihydro-[1]benzoxepino[3,2-b]pyridine
CID 134215019

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-9H-xanthene?
The IUPAC name of 2-tert-butyl-9H-xanthene (CID 20815655) is 2-tert-butyl-9H-xanthene.
What is the SMILES notation for 2-tert-butyl-9H-xanthene?
The canonical SMILES for 2-tert-butyl-9H-xanthene is CC(C)(C)c1ccc2c(c1)Cc1ccccc1O2.
What is the InChIKey of 2-tert-butyl-9H-xanthene?
The InChIKey is NHFZIIKNKMFYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O/c1-17(2,3)14-8-9-16-13(11-14)10-12-6-4-5-7-15(12)18-16/h4-9,11H,10H2,1-3H3.
What are the key properties of 2-tert-butyl-9H-xanthene?
2-tert-butyl-9H-xanthene has a molecular weight of 238.33 g/mol, XLogP of 4.68, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-9H-xanthene is sourced from PubChem (CID 20815655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).