5-(2,6-dichlorophenyl)spiro[2.3]hexane-5-carboxylic acid

C13H12Cl2O2 — CID 65008169

IUPAC5-(2,6-dichlorophenyl)spiro[2.3]hexane-5-carboxylic acid
SMILESO=C(O)C1(c2c(Cl)cccc2Cl)CC2(CC2)C1
InChIInChI=1S/C13H12Cl2O2/c14-8-2-1-3-9(15)10(8)13(11(16)17)6-12(7-13)4-5-12/h1-3H,4-7H2,(H,16,17)
InChIKeyRRYDUEOURHCISH-UHFFFAOYSA-N
MW271.14 g/mol
LogP3.89
Rot. Bonds2

About 5-(2,6-dichlorophenyl)spiro[2.3]hexane-5-carboxylic acid

5-(2,6-dichlorophenyl)spiro[2.3]hexane-5-carboxylic acid (PubChem CID 65008169) has the molecular formula C13H12Cl2O2 and a molecular weight of 271.14 g/mol. Its IUPAC name is 5-(2,6-dichlorophenyl)spiro[2.3]hexane-5-carboxylic acid.

Molecular Properties

Compound Name5-(2,6-dichlorophenyl)spiro[2.3]hexane-5-carboxylic acid
PubChem CID65008169
Molecular FormulaC13H12Cl2O2
Molecular Weight271.14 g/mol
Exact Mass270.02
IUPAC Name5-(2,6-dichlorophenyl)spiro[2.3]hexane-5-carboxylic acid
SMILESO=C(O)C1(c2c(Cl)cccc2Cl)CC2(CC2)C1
InChIInChI=1S/C13H12Cl2O2/c14-8-2-1-3-9(15)10(8)13(11(16)17)6-12(7-13)4-5-12/h1-3H,4-7H2,(H,16,17)
InChIKeyRRYDUEOURHCISH-UHFFFAOYSA-N
XLogP3.89
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.14
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chloro-6-fluorophenyl)-7-oxaspiro[3.5]nonane-2-carboxylic acid
CID 65006203
1-(2,6-dichlorophenyl)-3,3-dipropylcyclobutane-1-carboxylic acid
CID 65005288
1-(2-bromo-6-chlorophenyl)cyclobutane-1-carboxylic acid
CID 117467914
1-[2-chloro-6-(dimethylamino)phenyl]cyclohexane-1-carboxylic acid
CID 117452732
5-(3-fluorophenyl)spiro[2.3]hexane-5-carboxylic acid
CID 65008380
1-(3-chloro-2-hydroxyphenyl)cyclobutane-1-carboxylic acid
CID 82618262
2-(3-chlorophenyl)-7-oxaspiro[3.5]nonane-2-carboxylic acid
CID 65006156
1-(2-chloro-6-fluorophenyl)-3-oxocyclobutane-1-carboxylic acid
CID 64904824
5-(4-bromophenyl)spiro[2.3]hexane-5-carboxylic acid
CID 65008275
1-(2-chloro-6-methylsulfonylphenyl)cyclopentane-1-carboxylic acid
CID 117487595
4-(3-chloro-2-fluorophenyl)piperidine-4-carboxylic acid
CID 82803603
1-(2-amino-3-chlorophenyl)cyclohexane-1-carboxylic acid
CID 106702484

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dichlorophenyl)spiro[2.3]hexane-5-carboxylic acid?
The IUPAC name of 5-(2,6-dichlorophenyl)spiro[2.3]hexane-5-carboxylic acid (CID 65008169) is 5-(2,6-dichlorophenyl)spiro[2.3]hexane-5-carboxylic acid.
What is the SMILES notation for 5-(2,6-dichlorophenyl)spiro[2.3]hexane-5-carboxylic acid?
The canonical SMILES for 5-(2,6-dichlorophenyl)spiro[2.3]hexane-5-carboxylic acid is O=C(O)C1(c2c(Cl)cccc2Cl)CC2(CC2)C1.
What is the InChIKey of 5-(2,6-dichlorophenyl)spiro[2.3]hexane-5-carboxylic acid?
The InChIKey is RRYDUEOURHCISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2O2/c14-8-2-1-3-9(15)10(8)13(11(16)17)6-12(7-13)4-5-12/h1-3H,4-7H2,(H,16,17).
What are the key properties of 5-(2,6-dichlorophenyl)spiro[2.3]hexane-5-carboxylic acid?
5-(2,6-dichlorophenyl)spiro[2.3]hexane-5-carboxylic acid has a molecular weight of 271.14 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dichlorophenyl)spiro[2.3]hexane-5-carboxylic acid is sourced from PubChem (CID 65008169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).