methyl 6-chloro-1H-indene-2-carboxylate

C11H9ClO2 — CID 115026155

IUPACmethyl 6-chloro-1H-indene-2-carboxylate
SMILESCOC(=O)C1=Cc2ccc(Cl)cc2C1
InChIInChI=1S/C11H9ClO2/c1-14-11(13)9-4-7-2-3-10(12)6-8(7)5-9/h2-4,6H,5H2,1H3
InChIKeyMILAPWLLYKTOTF-UHFFFAOYSA-N
MW208.64 g/mol
LogP2.45
Rot. Bonds1

About methyl 6-chloro-1H-indene-2-carboxylate

methyl 6-chloro-1H-indene-2-carboxylate (PubChem CID 115026155) has the molecular formula C11H9ClO2 and a molecular weight of 208.64 g/mol. Its IUPAC name is methyl 6-chloro-1H-indene-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-chloro-1H-indene-2-carboxylate
PubChem CID115026155
Molecular FormulaC11H9ClO2
Molecular Weight208.64 g/mol
Exact Mass208.03
IUPAC Namemethyl 6-chloro-1H-indene-2-carboxylate
SMILESCOC(=O)C1=Cc2ccc(Cl)cc2C1
InChIInChI=1S/C11H9ClO2/c1-14-11(13)9-4-7-2-3-10(12)6-8(7)5-9/h2-4,6H,5H2,1H3
InChIKeyMILAPWLLYKTOTF-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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methyl 7-amino-1H-indene-2-carboxylate
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4-chloro-2-methoxycarbonylbenzoic acid
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3-(6-chloro-3,4-dihydronaphthalen-2-yl)propanoic acid
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methyl 5-chloro-2-(5-methoxy-5-oxopentanoyl)benzoate
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ethyl 7-chloro-2H-chromene-3-carboxylate
CID 22934791
methyl 7,8-dichloro-2,3-dihydro-1-benzoxepine-4-carboxylate
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methyl 4-chloro-2-(cyclopropanecarbonyl)benzoate
CID 162363879
methyl 2-acetamido-4-chlorobenzoate
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methyl N-(4-chloro-2-iodophenyl)carbamate
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methyl 5-chloro-2-trimethylsilylbenzoate
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Frequently Asked Questions

What is the IUPAC name of methyl 6-chloro-1H-indene-2-carboxylate?
The IUPAC name of methyl 6-chloro-1H-indene-2-carboxylate (CID 115026155) is methyl 6-chloro-1H-indene-2-carboxylate.
What is the SMILES notation for methyl 6-chloro-1H-indene-2-carboxylate?
The canonical SMILES for methyl 6-chloro-1H-indene-2-carboxylate is COC(=O)C1=Cc2ccc(Cl)cc2C1.
What is the InChIKey of methyl 6-chloro-1H-indene-2-carboxylate?
The InChIKey is MILAPWLLYKTOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClO2/c1-14-11(13)9-4-7-2-3-10(12)6-8(7)5-9/h2-4,6H,5H2,1H3.
What are the key properties of methyl 6-chloro-1H-indene-2-carboxylate?
methyl 6-chloro-1H-indene-2-carboxylate has a molecular weight of 208.64 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-chloro-1H-indene-2-carboxylate is sourced from PubChem (CID 115026155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).