2-[6'-(2-hydroxyethoxy)spiro[fluorene-9,9'-thioxanthene]-3'-yl]oxyethanol

C29H24O4S — CID 167530004

IUPAC2-[6'-(2-hydroxyethoxy)spiro[fluorene-9,9'-thioxanthene]-3'-yl]oxyethanol
SMILESOCCOc1ccc2c(c1)Sc1cc(OCCO)ccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C29H24O4S/c30-13-15-32-19-9-11-25-27(17-19)34-28-18-20(33-16-14-31)10-12-26(28)29(25)23-7-3-1-5-21(23)22-6-2-4-8-24(22)29/h1-12,17-18,30-31H,13-16H2
InChIKeyVDUDIMSSBRPTOK-UHFFFAOYSA-N
MW468.57 g/mol
LogP5.26
Rot. Bonds6

About 2-[6'-(2-hydroxyethoxy)spiro[fluorene-9,9'-thioxanthene]-3'-yl]oxyethanol

2-[6'-(2-hydroxyethoxy)spiro[fluorene-9,9'-thioxanthene]-3'-yl]oxyethanol (PubChem CID 167530004) has the molecular formula C29H24O4S and a molecular weight of 468.57 g/mol. Its IUPAC name is 2-[6'-(2-hydroxyethoxy)spiro[fluorene-9,9'-thioxanthene]-3'-yl]oxyethanol.

Molecular Properties

Compound Name2-[6'-(2-hydroxyethoxy)spiro[fluorene-9,9'-thioxanthene]-3'-yl]oxyethanol
PubChem CID167530004
Molecular FormulaC29H24O4S
Molecular Weight468.57 g/mol
Exact Mass468.14
IUPAC Name2-[6'-(2-hydroxyethoxy)spiro[fluorene-9,9'-thioxanthene]-3'-yl]oxyethanol
SMILESOCCOc1ccc2c(c1)Sc1cc(OCCO)ccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C29H24O4S/c30-13-15-32-19-9-11-25-27(17-19)34-28-18-20(33-16-14-31)10-12-26(28)29(25)23-7-3-1-5-21(23)22-6-2-4-8-24(22)29/h1-12,17-18,30-31H,13-16H2
InChIKeyVDUDIMSSBRPTOK-UHFFFAOYSA-N
XLogP5.26
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.57
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-ethyl-4-[9-[2-ethyl-4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol
CID 23136689
2-[4-[3-[9-[3-[4-(2-hydroxyethoxy)phenyl]phenyl]fluoren-9-yl]phenyl]phenoxy]ethanol
CID 67052233
2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl hypoiodite
CID 163468079
2-[2-[2-[2-[2-[2-[4-[9-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]fluoren-9-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 155473515
2-[4-[9-[4-(2-hydroxyethoxy)phenyl]-2-(6-naphthalen-2-ylnaphthalen-2-yl)fluoren-9-yl]phenoxy]ethanol
CID 171457359
2-[6-[9-[6-(2-hydroxyethoxy)naphthalen-2-yl]fluoren-9-yl]naphthalen-2-yl]oxyethyl methanesulfonate
CID 144725709
2-[4-[9-[4-(2-hydroxyethoxy)phenyl]-2-naphthalen-1-ylfluoren-9-yl]phenoxy]ethanol
CID 170283807
2-[4-[9-[4-(2-hydroxyethoxy)phenyl]-2-[4-(2-phenylethynyl)phenyl]fluoren-9-yl]phenoxy]ethanol
CID 171457332
2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl dihydrogen phosphate
CID 71033273
2-[4-[2-(1-benzothiophen-2-yl)-9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol
CID 171457344
3'-(4-chloro-2-phenylphenyl)spiro[fluorene-9,9'-thioxanthene]
CID 166844662
2-[2-[9-[2-(2-hydroxyethoxy)-6-phenylphenyl]fluoren-9-yl]-3-phenylphenoxy]ethanol
CID 139891141

Frequently Asked Questions

What is the IUPAC name of 2-[6'-(2-hydroxyethoxy)spiro[fluorene-9,9'-thioxanthene]-3'-yl]oxyethanol?
The IUPAC name of 2-[6'-(2-hydroxyethoxy)spiro[fluorene-9,9'-thioxanthene]-3'-yl]oxyethanol (CID 167530004) is 2-[6'-(2-hydroxyethoxy)spiro[fluorene-9,9'-thioxanthene]-3'-yl]oxyethanol.
What is the SMILES notation for 2-[6'-(2-hydroxyethoxy)spiro[fluorene-9,9'-thioxanthene]-3'-yl]oxyethanol?
The canonical SMILES for 2-[6'-(2-hydroxyethoxy)spiro[fluorene-9,9'-thioxanthene]-3'-yl]oxyethanol is OCCOc1ccc2c(c1)Sc1cc(OCCO)ccc1C21c2ccccc2-c2ccccc21.
What is the InChIKey of 2-[6'-(2-hydroxyethoxy)spiro[fluorene-9,9'-thioxanthene]-3'-yl]oxyethanol?
The InChIKey is VDUDIMSSBRPTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24O4S/c30-13-15-32-19-9-11-25-27(17-19)34-28-18-20(33-16-14-31)10-12-26(28)29(25)23-7-3-1-5-21(23)22-6-2-4-8-24(22)29/h1-12,17-18,30-31H,13-16H2.
What are the key properties of 2-[6'-(2-hydroxyethoxy)spiro[fluorene-9,9'-thioxanthene]-3'-yl]oxyethanol?
2-[6'-(2-hydroxyethoxy)spiro[fluorene-9,9'-thioxanthene]-3'-yl]oxyethanol has a molecular weight of 468.57 g/mol, XLogP of 5.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6'-(2-hydroxyethoxy)spiro[fluorene-9,9'-thioxanthene]-3'-yl]oxyethanol is sourced from PubChem (CID 167530004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).