spiro[cyclohexane-1,9'-xanthene]

C18H18O — CID 12861604

IUPACspiro[cyclohexane-1,9'-xanthene]
SMILESc1ccc2c(c1)Oc1ccccc1C21CCCCC1
InChIInChI=1S/C18H18O/c1-6-12-18(13-7-1)14-8-2-4-10-16(14)19-17-11-5-3-9-15(17)18/h2-5,8-11H,1,6-7,12-13H2
InChIKeyIXHWJOFFTAICML-UHFFFAOYSA-N
MW250.34 g/mol
LogP5.04
Rot. Bonds

About spiro[cyclohexane-1,9'-xanthene]

spiro[cyclohexane-1,9'-xanthene] (PubChem CID 12861604) has the molecular formula C18H18O and a molecular weight of 250.34 g/mol. Its IUPAC name is spiro[cyclohexane-1,9'-xanthene].

Molecular Properties

Compound Namespiro[cyclohexane-1,9'-xanthene]
PubChem CID12861604
Molecular FormulaC18H18O
Molecular Weight250.34 g/mol
Exact Mass250.14
IUPAC Namespiro[cyclohexane-1,9'-xanthene]
SMILESc1ccc2c(c1)Oc1ccccc1C21CCCCC1
InChIInChI=1S/C18H18O/c1-6-12-18(13-7-1)14-8-2-4-10-16(14)19-17-11-5-3-9-15(17)18/h2-5,8-11H,1,6-7,12-13H2
InChIKeyIXHWJOFFTAICML-UHFFFAOYSA-N
XLogP5.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.34
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

spiro[pyrrolidine-3,9'-xanthene]
CID 10444168
2'-(2-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)spiro[fluorene-9,9'-xanthene]
CID 177127726
benzenecarboximidoyl spiro[cyclohexane-1,9'-xanthene]-2'-carboximidothioate
CID 166908524
1-fluoro-2-[1-(2-fluorophenyl)cyclohexyl]benzene
CID 22420549
1-chloro-2-[1-(2-chlorophenyl)cyclopentyl]benzene
CID 142095779
1-(1-methylcyclodecyl)-10H-phenoxazine
CID 173176361
1-(1-methylcyclooctyl)-10H-phenoxazine
CID 173177198
12-(3-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
CID 177126861
N-methylmethanamine;1-methyl-2-[1-(2-methylphenyl)cyclohexyl]benzene
CID 70442596
1-(2-phenylethyl)spiro[pyrrolidine-3,9'-xanthene]
CID 71377991
2'-(4-spiro[cyclohexane-1,1'-indene]-2'-ylphenyl)spiro[cyclohexane-1,1'-indene]
CID 21023236
2-[2-[1-[2-(2-hydroxyethoxy)phenyl]cyclohexyl]phenoxy]ethanol;2-[2-[1-[2-(2-hydroxyethoxy)phenyl]cyclopentyl]phenoxy]ethanol
CID 175486733

Frequently Asked Questions

What is the IUPAC name of spiro[cyclohexane-1,9'-xanthene]?
The IUPAC name of spiro[cyclohexane-1,9'-xanthene] (CID 12861604) is spiro[cyclohexane-1,9'-xanthene].
What is the SMILES notation for spiro[cyclohexane-1,9'-xanthene]?
The canonical SMILES for spiro[cyclohexane-1,9'-xanthene] is c1ccc2c(c1)Oc1ccccc1C21CCCCC1.
What is the InChIKey of spiro[cyclohexane-1,9'-xanthene]?
The InChIKey is IXHWJOFFTAICML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O/c1-6-12-18(13-7-1)14-8-2-4-10-16(14)19-17-11-5-3-9-15(17)18/h2-5,8-11H,1,6-7,12-13H2.
What are the key properties of spiro[cyclohexane-1,9'-xanthene]?
spiro[cyclohexane-1,9'-xanthene] has a molecular weight of 250.34 g/mol, XLogP of 5.04, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[cyclohexane-1,9'-xanthene] is sourced from PubChem (CID 12861604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).