methyl 5-chloro-3H-indene-4-carboxylate

C11H9ClO2 — CID 154933465

IUPACmethyl 5-chloro-3H-indene-4-carboxylate
SMILESCOC(=O)c1c(Cl)ccc2c1CC=C2
InChIInChI=1S/C11H9ClO2/c1-14-11(13)10-8-4-2-3-7(8)5-6-9(10)12/h2-3,5-6H,4H2,1H3
InChIKeyJNNSBUVOPNOVSH-UHFFFAOYSA-N
MW208.64 g/mol
LogP2.70
Rot. Bonds1

About methyl 5-chloro-3H-indene-4-carboxylate

methyl 5-chloro-3H-indene-4-carboxylate (PubChem CID 154933465) has the molecular formula C11H9ClO2 and a molecular weight of 208.64 g/mol. Its IUPAC name is methyl 5-chloro-3H-indene-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-chloro-3H-indene-4-carboxylate
PubChem CID154933465
Molecular FormulaC11H9ClO2
Molecular Weight208.64 g/mol
Exact Mass208.03
IUPAC Namemethyl 5-chloro-3H-indene-4-carboxylate
SMILESCOC(=O)c1c(Cl)ccc2c1CC=C2
InChIInChI=1S/C11H9ClO2/c1-14-11(13)10-8-4-2-3-7(8)5-6-9(10)12/h2-3,5-6H,4H2,1H3
InChIKeyJNNSBUVOPNOVSH-UHFFFAOYSA-N
XLogP2.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.64
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze methyl 5-chloro-3H-indene-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 6-chloro-3H-indene-4-carboxylate
CID 163854684
methyl 5-chloro-2,2-dimethyl-3H-1-benzofuran-4-carboxylate
CID 58566507
methyl 2,6-dichloro-3-methoxybenzoate
CID 72942143
methyl 3,6-dichloro-2-(trifluoromethyl)benzoate
CID 167314115
2,6-dichlorobenzoic acid;methyl 2,6-dichlorobenzoate;molecular hydrogen
CID 159853083
methyl 6-chloro-3-cyano-2-iodobenzoate
CID 131168778
methyl 2-amino-6-chloro-3-iodobenzoate
CID 126738254
methyl 2-chloro-5a,6,7,8,9,9a-hexahydrodibenzofuran-1-carboxylate
CID 67904086
methyl 4-chloro-3-(dibromomethyl)benzoate
CID 155366395
methyl 6-amino-2,3-dichlorobenzoate;hydrochloride
CID 70564288
methyl 2-amino-6-chlorobenzoate;hydrochloride
CID 84819290
methyl 7-chloro-3-methylquinoline-8-carboxylate
CID 21278643

Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-3H-indene-4-carboxylate?
The IUPAC name of methyl 5-chloro-3H-indene-4-carboxylate (CID 154933465) is methyl 5-chloro-3H-indene-4-carboxylate.
What is the SMILES notation for methyl 5-chloro-3H-indene-4-carboxylate?
The canonical SMILES for methyl 5-chloro-3H-indene-4-carboxylate is COC(=O)c1c(Cl)ccc2c1CC=C2.
What is the InChIKey of methyl 5-chloro-3H-indene-4-carboxylate?
The InChIKey is JNNSBUVOPNOVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClO2/c1-14-11(13)10-8-4-2-3-7(8)5-6-9(10)12/h2-3,5-6H,4H2,1H3.
What are the key properties of methyl 5-chloro-3H-indene-4-carboxylate?
methyl 5-chloro-3H-indene-4-carboxylate has a molecular weight of 208.64 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-3H-indene-4-carboxylate is sourced from PubChem (CID 154933465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).