4-chloro-1-methoxy-2-methyl-2,3-dihydro-1H-indene

C11H13ClO — CID 6424521

IUPAC4-chloro-1-methoxy-2-methyl-2,3-dihydro-1H-indene
SMILESCOC1c2cccc(Cl)c2CC1C
InChIInChI=1S/C11H13ClO/c1-7-6-9-8(11(7)13-2)4-3-5-10(9)12/h3-5,7,11H,6H2,1-2H3
InChIKeyKTJPWOOQPUULSF-UHFFFAOYSA-N
MW196.68 g/mol
LogP3.22
Rot. Bonds1

About 4-chloro-1-methoxy-2-methyl-2,3-dihydro-1H-indene

4-chloro-1-methoxy-2-methyl-2,3-dihydro-1H-indene (PubChem CID 6424521) has the molecular formula C11H13ClO and a molecular weight of 196.68 g/mol. Its IUPAC name is 4-chloro-1-methoxy-2-methyl-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name4-chloro-1-methoxy-2-methyl-2,3-dihydro-1H-indene
PubChem CID6424521
Molecular FormulaC11H13ClO
Molecular Weight196.68 g/mol
Exact Mass196.07
IUPAC Name4-chloro-1-methoxy-2-methyl-2,3-dihydro-1H-indene
SMILESCOC1c2cccc(Cl)c2CC1C
InChIInChI=1S/C11H13ClO/c1-7-6-9-8(11(7)13-2)4-3-5-10(9)12/h3-5,7,11H,6H2,1-2H3
InChIKeyKTJPWOOQPUULSF-UHFFFAOYSA-N
XLogP3.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methoxy-2-methyl-2,3-dihydro-1H-indene?
The IUPAC name of 4-chloro-1-methoxy-2-methyl-2,3-dihydro-1H-indene (CID 6424521) is 4-chloro-1-methoxy-2-methyl-2,3-dihydro-1H-indene.
What is the SMILES notation for 4-chloro-1-methoxy-2-methyl-2,3-dihydro-1H-indene?
The canonical SMILES for 4-chloro-1-methoxy-2-methyl-2,3-dihydro-1H-indene is COC1c2cccc(Cl)c2CC1C.
What is the InChIKey of 4-chloro-1-methoxy-2-methyl-2,3-dihydro-1H-indene?
The InChIKey is KTJPWOOQPUULSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO/c1-7-6-9-8(11(7)13-2)4-3-5-10(9)12/h3-5,7,11H,6H2,1-2H3.
What are the key properties of 4-chloro-1-methoxy-2-methyl-2,3-dihydro-1H-indene?
4-chloro-1-methoxy-2-methyl-2,3-dihydro-1H-indene has a molecular weight of 196.68 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methoxy-2-methyl-2,3-dihydro-1H-indene is sourced from PubChem (CID 6424521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).