3'-chloro-8'-methoxyspiro[azetidine-3,6'-benzo[c]chromene]-1-carboxylic acid

C17H14ClNO4 — CID 172712441

IUPAC3'-chloro-8'-methoxyspiro[azetidine-3,6'-benzo[c]chromene]-1-carboxylic acid
SMILESCOc1ccc2c(c1)C1(CN(C(=O)O)C1)Oc1cc(Cl)ccc1-2
InChIInChI=1S/C17H14ClNO4/c1-22-11-3-5-12-13-4-2-10(18)6-15(13)23-17(14(12)7-11)8-19(9-17)16(20)21/h2-7H,8-9H2,1H3,(H,20,21)
InChIKeyFKQYMAZRNYGBSP-UHFFFAOYSA-N
MW331.75 g/mol
LogP3.60
Rot. Bonds1

About 3'-chloro-8'-methoxyspiro[azetidine-3,6'-benzo[c]chromene]-1-carboxylic acid

3'-chloro-8'-methoxyspiro[azetidine-3,6'-benzo[c]chromene]-1-carboxylic acid (PubChem CID 172712441) has the molecular formula C17H14ClNO4 and a molecular weight of 331.75 g/mol. Its IUPAC name is 3'-chloro-8'-methoxyspiro[azetidine-3,6'-benzo[c]chromene]-1-carboxylic acid.

Molecular Properties

Compound Name3'-chloro-8'-methoxyspiro[azetidine-3,6'-benzo[c]chromene]-1-carboxylic acid
PubChem CID172712441
Molecular FormulaC17H14ClNO4
Molecular Weight331.75 g/mol
Exact Mass331.06
IUPAC Name3'-chloro-8'-methoxyspiro[azetidine-3,6'-benzo[c]chromene]-1-carboxylic acid
SMILESCOc1ccc2c(c1)C1(CN(C(=O)O)C1)Oc1cc(Cl)ccc1-2
InChIInChI=1S/C17H14ClNO4/c1-22-11-3-5-12-13-4-2-10(18)6-15(13)23-17(14(12)7-11)8-19(9-17)16(20)21/h2-7H,8-9H2,1H3,(H,20,21)
InChIKeyFKQYMAZRNYGBSP-UHFFFAOYSA-N
XLogP3.60
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.75
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carboxylic acid
CID 141133258
4-chloro-12-methoxytetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaene-1-carboxylic acid
CID 21480615
1'-(5-chloro-2-methoxybenzoyl)-6-methoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 108768681
3-chloro-9-methoxy-6H-benzo[b][1,4]benzoxazepine-5-carboxylic acid
CID 19102555
6-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylic acid
CID 67468525
1'-[2-(4-chlorophenoxy)-2-methylpropanoyl]-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758844
4-chloro-2-(4-methoxy-2-methylphenyl)benzoic acid
CID 53226268
1'-(2-chloroacetyl)-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735805
1'-(3-chlorobenzoyl)-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 53177037
1'-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108809874
5-chloro-2-(3-methoxyphenyl)benzoic acid
CID 39232676
7-methoxy-2,2-dimethylchromene-4-carbaldehyde
CID 11042200

Frequently Asked Questions

What is the IUPAC name of 3'-chloro-8'-methoxyspiro[azetidine-3,6'-benzo[c]chromene]-1-carboxylic acid?
The IUPAC name of 3'-chloro-8'-methoxyspiro[azetidine-3,6'-benzo[c]chromene]-1-carboxylic acid (CID 172712441) is 3'-chloro-8'-methoxyspiro[azetidine-3,6'-benzo[c]chromene]-1-carboxylic acid.
What is the SMILES notation for 3'-chloro-8'-methoxyspiro[azetidine-3,6'-benzo[c]chromene]-1-carboxylic acid?
The canonical SMILES for 3'-chloro-8'-methoxyspiro[azetidine-3,6'-benzo[c]chromene]-1-carboxylic acid is COc1ccc2c(c1)C1(CN(C(=O)O)C1)Oc1cc(Cl)ccc1-2.
What is the InChIKey of 3'-chloro-8'-methoxyspiro[azetidine-3,6'-benzo[c]chromene]-1-carboxylic acid?
The InChIKey is FKQYMAZRNYGBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO4/c1-22-11-3-5-12-13-4-2-10(18)6-15(13)23-17(14(12)7-11)8-19(9-17)16(20)21/h2-7H,8-9H2,1H3,(H,20,21).
What are the key properties of 3'-chloro-8'-methoxyspiro[azetidine-3,6'-benzo[c]chromene]-1-carboxylic acid?
3'-chloro-8'-methoxyspiro[azetidine-3,6'-benzo[c]chromene]-1-carboxylic acid has a molecular weight of 331.75 g/mol, XLogP of 3.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-chloro-8'-methoxyspiro[azetidine-3,6'-benzo[c]chromene]-1-carboxylic acid is sourced from PubChem (CID 172712441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).