2-[(2'-chloro-9,9'-spirobi[fluorene]-3-yl)oxy]benzoic acid

C32H19ClO3 — CID 164757649

IUPAC2-[(2'-chloro-9,9'-spirobi[fluorene]-3-yl)oxy]benzoic acid
SMILESO=C(O)c1ccccc1Oc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(Cl)cc21
InChIInChI=1S/C32H19ClO3/c33-19-13-15-23-21-7-1-4-10-26(21)32(29(23)17-19)27-11-5-2-8-22(27)25-18-20(14-16-28(25)32)36-30-12-6-3-9-24(30)31(34)35/h1-18H,(H,34,35)
InChIKeyCACJRRLLFLOOIW-UHFFFAOYSA-N
MW486.95 g/mol
LogP8.17
Rot. Bonds3

About 2-[(2'-chloro-9,9'-spirobi[fluorene]-3-yl)oxy]benzoic acid

2-[(2'-chloro-9,9'-spirobi[fluorene]-3-yl)oxy]benzoic acid (PubChem CID 164757649) has the molecular formula C32H19ClO3 and a molecular weight of 486.95 g/mol. Its IUPAC name is 2-[(2'-chloro-9,9'-spirobi[fluorene]-3-yl)oxy]benzoic acid.

Molecular Properties

Compound Name2-[(2'-chloro-9,9'-spirobi[fluorene]-3-yl)oxy]benzoic acid
PubChem CID164757649
Molecular FormulaC32H19ClO3
Molecular Weight486.95 g/mol
Exact Mass486.10
IUPAC Name2-[(2'-chloro-9,9'-spirobi[fluorene]-3-yl)oxy]benzoic acid
SMILESO=C(O)c1ccccc1Oc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(Cl)cc21
InChIInChI=1S/C32H19ClO3/c33-19-13-15-23-21-7-1-4-10-26(21)32(29(23)17-19)27-11-5-2-8-22(27)25-18-20(14-16-28(25)32)36-30-12-6-3-9-24(30)31(34)35/h1-18H,(H,34,35)
InChIKeyCACJRRLLFLOOIW-UHFFFAOYSA-N
XLogP8.17
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.95
LogP ≤ 58.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 102192841
CID 102192841
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
5-[2-[9-[2-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]fluoren-9-yl]phenoxy]-2-benzofuran-1,3-dione
CID 155147619
2'-chloro-9,9-dimethylspiro[anthracene-10,9'-fluorene]
CID 138667036
2-(2-carboxyphenyl)-5-chlorobenzoic acid;dihydrochloride
CID 67933497
(2'-carbamoyloxy-9,9'-spirobi[fluorene]-2-yl) carbamate
CID 23150327
2-(4-amino-3-fluorophenoxy)benzoic acid
CID 175103965
2-(3-chloro-5-fluorophenoxy)benzoic acid
CID 91575337
2-(2-carboxyphenoxy)benzoic acid;ethene
CID 67642848
5-chloro-2-(4-iodophenoxy)benzoic acid
CID 63459076
5-chloro-2-(2-methoxyphenyl)benzoic acid
CID 39232682
2-(3-chlorophenoxy)benzoyl bromide
CID 139662791

Frequently Asked Questions

What is the IUPAC name of 2-[(2'-chloro-9,9'-spirobi[fluorene]-3-yl)oxy]benzoic acid?
The IUPAC name of 2-[(2'-chloro-9,9'-spirobi[fluorene]-3-yl)oxy]benzoic acid (CID 164757649) is 2-[(2'-chloro-9,9'-spirobi[fluorene]-3-yl)oxy]benzoic acid.
What is the SMILES notation for 2-[(2'-chloro-9,9'-spirobi[fluorene]-3-yl)oxy]benzoic acid?
The canonical SMILES for 2-[(2'-chloro-9,9'-spirobi[fluorene]-3-yl)oxy]benzoic acid is O=C(O)c1ccccc1Oc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(Cl)cc21.
What is the InChIKey of 2-[(2'-chloro-9,9'-spirobi[fluorene]-3-yl)oxy]benzoic acid?
The InChIKey is CACJRRLLFLOOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H19ClO3/c33-19-13-15-23-21-7-1-4-10-26(21)32(29(23)17-19)27-11-5-2-8-22(27)25-18-20(14-16-28(25)32)36-30-12-6-3-9-24(30)31(34)35/h1-18H,(H,34,35).
What are the key properties of 2-[(2'-chloro-9,9'-spirobi[fluorene]-3-yl)oxy]benzoic acid?
2-[(2'-chloro-9,9'-spirobi[fluorene]-3-yl)oxy]benzoic acid has a molecular weight of 486.95 g/mol, XLogP of 8.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2'-chloro-9,9'-spirobi[fluorene]-3-yl)oxy]benzoic acid is sourced from PubChem (CID 164757649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).