methyl 6-chloro-2,3-dihydro-1H-indene-1-carboxylate

C11H11ClO2 — CID 72710322

IUPACmethyl 6-chloro-2,3-dihydro-1H-indene-1-carboxylate
SMILESCOC(=O)C1CCc2ccc(Cl)cc21
InChIInChI=1S/C11H11ClO2/c1-14-11(13)9-5-3-7-2-4-8(12)6-10(7)9/h2,4,6,9H,3,5H2,1H3
InChIKeyDIPQEXYHXNXKIY-UHFFFAOYSA-N
MW210.66 g/mol
LogP2.54
Rot. Bonds1

About methyl 6-chloro-2,3-dihydro-1H-indene-1-carboxylate

methyl 6-chloro-2,3-dihydro-1H-indene-1-carboxylate (PubChem CID 72710322) has the molecular formula C11H11ClO2 and a molecular weight of 210.66 g/mol. Its IUPAC name is methyl 6-chloro-2,3-dihydro-1H-indene-1-carboxylate.

Molecular Properties

Compound Namemethyl 6-chloro-2,3-dihydro-1H-indene-1-carboxylate
PubChem CID72710322
Molecular FormulaC11H11ClO2
Molecular Weight210.66 g/mol
Exact Mass210.04
IUPAC Namemethyl 6-chloro-2,3-dihydro-1H-indene-1-carboxylate
SMILESCOC(=O)C1CCc2ccc(Cl)cc21
InChIInChI=1S/C11H11ClO2/c1-14-11(13)9-5-3-7-2-4-8(12)6-10(7)9/h2,4,6,9H,3,5H2,1H3
InChIKeyDIPQEXYHXNXKIY-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 6-chloro-2,3-dihydro-1H-indene-1-carboxylate?
The IUPAC name of methyl 6-chloro-2,3-dihydro-1H-indene-1-carboxylate (CID 72710322) is methyl 6-chloro-2,3-dihydro-1H-indene-1-carboxylate.
What is the SMILES notation for methyl 6-chloro-2,3-dihydro-1H-indene-1-carboxylate?
The canonical SMILES for methyl 6-chloro-2,3-dihydro-1H-indene-1-carboxylate is COC(=O)C1CCc2ccc(Cl)cc21.
What is the InChIKey of methyl 6-chloro-2,3-dihydro-1H-indene-1-carboxylate?
The InChIKey is DIPQEXYHXNXKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO2/c1-14-11(13)9-5-3-7-2-4-8(12)6-10(7)9/h2,4,6,9H,3,5H2,1H3.
What are the key properties of methyl 6-chloro-2,3-dihydro-1H-indene-1-carboxylate?
methyl 6-chloro-2,3-dihydro-1H-indene-1-carboxylate has a molecular weight of 210.66 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-chloro-2,3-dihydro-1H-indene-1-carboxylate is sourced from PubChem (CID 72710322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).