methyl 5-chloro-2,3-dihydro-1H-indene-2-carboxylate

C11H11ClO2 — CID 19384695

IUPACmethyl 5-chloro-2,3-dihydro-1H-indene-2-carboxylate
SMILESCOC(=O)C1Cc2ccc(Cl)cc2C1
InChIInChI=1S/C11H11ClO2/c1-14-11(13)9-4-7-2-3-10(12)6-8(7)5-9/h2-3,6,9H,4-5H2,1H3
InChIKeyYZERAOLJKCDEHY-UHFFFAOYSA-N
MW210.66 g/mol
LogP2.23
Rot. Bonds1

About methyl 5-chloro-2,3-dihydro-1H-indene-2-carboxylate

methyl 5-chloro-2,3-dihydro-1H-indene-2-carboxylate (PubChem CID 19384695) has the molecular formula C11H11ClO2 and a molecular weight of 210.66 g/mol. Its IUPAC name is methyl 5-chloro-2,3-dihydro-1H-indene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-chloro-2,3-dihydro-1H-indene-2-carboxylate
PubChem CID19384695
Molecular FormulaC11H11ClO2
Molecular Weight210.66 g/mol
Exact Mass210.04
IUPAC Namemethyl 5-chloro-2,3-dihydro-1H-indene-2-carboxylate
SMILESCOC(=O)C1Cc2ccc(Cl)cc2C1
InChIInChI=1S/C11H11ClO2/c1-14-11(13)9-4-7-2-3-10(12)6-8(7)5-9/h2-3,6,9H,4-5H2,1H3
InChIKeyYZERAOLJKCDEHY-UHFFFAOYSA-N
XLogP2.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-2,3-dihydro-1H-indene-2-carboxylate?
The IUPAC name of methyl 5-chloro-2,3-dihydro-1H-indene-2-carboxylate (CID 19384695) is methyl 5-chloro-2,3-dihydro-1H-indene-2-carboxylate.
What is the SMILES notation for methyl 5-chloro-2,3-dihydro-1H-indene-2-carboxylate?
The canonical SMILES for methyl 5-chloro-2,3-dihydro-1H-indene-2-carboxylate is COC(=O)C1Cc2ccc(Cl)cc2C1.
What is the InChIKey of methyl 5-chloro-2,3-dihydro-1H-indene-2-carboxylate?
The InChIKey is YZERAOLJKCDEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO2/c1-14-11(13)9-4-7-2-3-10(12)6-8(7)5-9/h2-3,6,9H,4-5H2,1H3.
What are the key properties of methyl 5-chloro-2,3-dihydro-1H-indene-2-carboxylate?
methyl 5-chloro-2,3-dihydro-1H-indene-2-carboxylate has a molecular weight of 210.66 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-2,3-dihydro-1H-indene-2-carboxylate is sourced from PubChem (CID 19384695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).