4-tert-butyl-9H-xanthen-9-ol

C17H18O2 — CID 102278756

IUPAC4-tert-butyl-9H-xanthen-9-ol
SMILESCC(C)(C)c1cccc2c1Oc1ccccc1C2O
InChIInChI=1S/C17H18O2/c1-17(2,3)13-9-6-8-12-15(18)11-7-4-5-10-14(11)19-16(12)13/h4-10,15,18H,1-3H3
InChIKeyXNDBNMKZUOBZAV-UHFFFAOYSA-N
MW254.33 g/mol
LogP4.17
Rot. Bonds

About 4-tert-butyl-9H-xanthen-9-ol

4-tert-butyl-9H-xanthen-9-ol (PubChem CID 102278756) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-tert-butyl-9H-xanthen-9-ol.

Molecular Properties

Compound Name4-tert-butyl-9H-xanthen-9-ol
PubChem CID102278756
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name4-tert-butyl-9H-xanthen-9-ol
SMILESCC(C)(C)c1cccc2c1Oc1ccccc1C2O
InChIInChI=1S/C17H18O2/c1-17(2,3)13-9-6-8-12-15(18)11-7-4-5-10-14(11)19-16(12)13/h4-10,15,18H,1-3H3
InChIKeyXNDBNMKZUOBZAV-UHFFFAOYSA-N
XLogP4.17
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-chloro-9H-xanthen-9-ol
CID 12734111
(2E)-2-[(4-methylphenyl)methylidene]-3H-1-benzofuran-3-ol
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tris(1,2-ditert-butylbenzene);methanol
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4-hydroxy-3-methylidene-4H-chromen-2-one
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3,4-ditert-butyl-3,4-dihydrochromen-2-one
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9-hydroxy-9H-xanthene-1-carbonitrile
CID 155464984

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-9H-xanthen-9-ol?
The IUPAC name of 4-tert-butyl-9H-xanthen-9-ol (CID 102278756) is 4-tert-butyl-9H-xanthen-9-ol.
What is the SMILES notation for 4-tert-butyl-9H-xanthen-9-ol?
The canonical SMILES for 4-tert-butyl-9H-xanthen-9-ol is CC(C)(C)c1cccc2c1Oc1ccccc1C2O.
What is the InChIKey of 4-tert-butyl-9H-xanthen-9-ol?
The InChIKey is XNDBNMKZUOBZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-17(2,3)13-9-6-8-12-15(18)11-7-4-5-10-14(11)19-16(12)13/h4-10,15,18H,1-3H3.
What are the key properties of 4-tert-butyl-9H-xanthen-9-ol?
4-tert-butyl-9H-xanthen-9-ol has a molecular weight of 254.33 g/mol, XLogP of 4.17, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-9H-xanthen-9-ol is sourced from PubChem (CID 102278756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).