3'-(5-chloro-2-fluorophenyl)-9,9'-spirobi[fluorene]-2'-ol

C31H18ClFO — CID 145358393

IUPAC3'-(5-chloro-2-fluorophenyl)-9,9'-spirobi[fluorene]-2'-ol
SMILESOc1cc2c(cc1-c1cc(Cl)ccc1F)-c1ccccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C31H18ClFO/c32-18-13-14-29(33)23(15-18)24-16-22-21-9-3-6-12-27(21)31(28(22)17-30(24)34)25-10-4-1-7-19(25)20-8-2-5-11-26(20)31/h1-17,34H
InChIKeyDFOBNGFCLRUCFP-UHFFFAOYSA-N
MW460.94 g/mol
LogP8.20
Rot. Bonds1

About 3'-(5-chloro-2-fluorophenyl)-9,9'-spirobi[fluorene]-2'-ol

3'-(5-chloro-2-fluorophenyl)-9,9'-spirobi[fluorene]-2'-ol (PubChem CID 145358393) has the molecular formula C31H18ClFO and a molecular weight of 460.94 g/mol. Its IUPAC name is 3'-(5-chloro-2-fluorophenyl)-9,9'-spirobi[fluorene]-2'-ol.

Molecular Properties

Compound Name3'-(5-chloro-2-fluorophenyl)-9,9'-spirobi[fluorene]-2'-ol
PubChem CID145358393
Molecular FormulaC31H18ClFO
Molecular Weight460.94 g/mol
Exact Mass460.10
IUPAC Name3'-(5-chloro-2-fluorophenyl)-9,9'-spirobi[fluorene]-2'-ol
SMILESOc1cc2c(cc1-c1cc(Cl)ccc1F)-c1ccccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C31H18ClFO/c32-18-13-14-29(33)23(15-18)24-16-22-21-9-3-6-12-27(21)31(28(22)17-30(24)34)25-10-4-1-7-19(25)20-8-2-5-11-26(20)31/h1-17,34H
InChIKeyDFOBNGFCLRUCFP-UHFFFAOYSA-N
XLogP8.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.94
LogP ≤ 58.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3'-(5-chloro-2-fluorophenyl)-9,9'-spirobi[fluorene]-2'-ol with MolForge

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Related Compounds

3,6-dichlorospiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]
CID 130265363
CID 102192841
CID 102192841
3-chlorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]
CID 130260790
3-chlorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]
CID 155407262
2-[9-(2,5-dihydroxyphenyl)fluoren-9-yl]benzene-1,4-diol
CID 137364137
2'-chloro-9,9-dimethylspiro[anthracene-10,9'-fluorene]
CID 138667036
5-[9-(2,4,5-trihydroxyphenyl)fluoren-9-yl]benzene-1,2,4-triol
CID 137364150
3-chloro-5'-fluorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]
CID 134253370
2-[9-(2-hydroxyphenyl)fluoren-9-yl]phenol
CID 14438476
2-chlorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]
CID 130260395
5-chloro-2-(2-fluorophenyl)phenol
CID 46314337
CID 129022969
CID 129022969

Frequently Asked Questions

What is the IUPAC name of 3'-(5-chloro-2-fluorophenyl)-9,9'-spirobi[fluorene]-2'-ol?
The IUPAC name of 3'-(5-chloro-2-fluorophenyl)-9,9'-spirobi[fluorene]-2'-ol (CID 145358393) is 3'-(5-chloro-2-fluorophenyl)-9,9'-spirobi[fluorene]-2'-ol.
What is the SMILES notation for 3'-(5-chloro-2-fluorophenyl)-9,9'-spirobi[fluorene]-2'-ol?
The canonical SMILES for 3'-(5-chloro-2-fluorophenyl)-9,9'-spirobi[fluorene]-2'-ol is Oc1cc2c(cc1-c1cc(Cl)ccc1F)-c1ccccc1C21c2ccccc2-c2ccccc21.
What is the InChIKey of 3'-(5-chloro-2-fluorophenyl)-9,9'-spirobi[fluorene]-2'-ol?
The InChIKey is DFOBNGFCLRUCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H18ClFO/c32-18-13-14-29(33)23(15-18)24-16-22-21-9-3-6-12-27(21)31(28(22)17-30(24)34)25-10-4-1-7-19(25)20-8-2-5-11-26(20)31/h1-17,34H.
What are the key properties of 3'-(5-chloro-2-fluorophenyl)-9,9'-spirobi[fluorene]-2'-ol?
3'-(5-chloro-2-fluorophenyl)-9,9'-spirobi[fluorene]-2'-ol has a molecular weight of 460.94 g/mol, XLogP of 8.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-(5-chloro-2-fluorophenyl)-9,9'-spirobi[fluorene]-2'-ol is sourced from PubChem (CID 145358393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).