(2S)-4-chloro-5-methoxy-2-methyl-2,3-dihydroinden-1-one

C11H11ClO2 — CID 146510847

IUPAC(2S)-4-chloro-5-methoxy-2-methyl-2,3-dihydroinden-1-one
SMILESCOc1ccc2c(c1Cl)C[C@H](C)C2=O
InChIInChI=1S/C11H11ClO2/c1-6-5-8-7(11(6)13)3-4-9(14-2)10(8)12/h3-4,6H,5H2,1-2H3/t6-/m0/s1
InChIKeyRWUFVEXALAOQEO-LURJTMIESA-N
MW210.66 g/mol
LogP2.72
Rot. Bonds1

About (2S)-4-chloro-5-methoxy-2-methyl-2,3-dihydroinden-1-one

(2S)-4-chloro-5-methoxy-2-methyl-2,3-dihydroinden-1-one (PubChem CID 146510847) has the molecular formula C11H11ClO2 and a molecular weight of 210.66 g/mol. Its IUPAC name is (2S)-4-chloro-5-methoxy-2-methyl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name(2S)-4-chloro-5-methoxy-2-methyl-2,3-dihydroinden-1-one
PubChem CID146510847
Molecular FormulaC11H11ClO2
Molecular Weight210.66 g/mol
Exact Mass210.04
IUPAC Name(2S)-4-chloro-5-methoxy-2-methyl-2,3-dihydroinden-1-one
SMILESCOc1ccc2c(c1Cl)C[C@H](C)C2=O
InChIInChI=1S/C11H11ClO2/c1-6-5-8-7(11(6)13)3-4-9(14-2)10(8)12/h3-4,6H,5H2,1-2H3/t6-/m0/s1
InChIKeyRWUFVEXALAOQEO-LURJTMIESA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-chloro-5-methoxy-2-methyl-2,3-dihydroinden-1-one?
The IUPAC name of (2S)-4-chloro-5-methoxy-2-methyl-2,3-dihydroinden-1-one (CID 146510847) is (2S)-4-chloro-5-methoxy-2-methyl-2,3-dihydroinden-1-one.
What is the SMILES notation for (2S)-4-chloro-5-methoxy-2-methyl-2,3-dihydroinden-1-one?
The canonical SMILES for (2S)-4-chloro-5-methoxy-2-methyl-2,3-dihydroinden-1-one is COc1ccc2c(c1Cl)C[C@H](C)C2=O.
What is the InChIKey of (2S)-4-chloro-5-methoxy-2-methyl-2,3-dihydroinden-1-one?
The InChIKey is RWUFVEXALAOQEO-LURJTMIESA-N. The full InChI is InChI=1S/C11H11ClO2/c1-6-5-8-7(11(6)13)3-4-9(14-2)10(8)12/h3-4,6H,5H2,1-2H3/t6-/m0/s1.
What are the key properties of (2S)-4-chloro-5-methoxy-2-methyl-2,3-dihydroinden-1-one?
(2S)-4-chloro-5-methoxy-2-methyl-2,3-dihydroinden-1-one has a molecular weight of 210.66 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-chloro-5-methoxy-2-methyl-2,3-dihydroinden-1-one is sourced from PubChem (CID 146510847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).