4-chloro-1-methyl-1H-indene

C10H9Cl — CID 141174083

IUPAC4-chloro-1-methyl-1H-indene
SMILESCC1C=Cc2c(Cl)cccc21
InChIInChI=1S/C10H9Cl/c1-7-5-6-9-8(7)3-2-4-10(9)11/h2-7H,1H3
InChIKeyMFRAXNORQVMNKU-UHFFFAOYSA-N
MW164.63 g/mol
LogP3.47
Rot. Bonds

About 4-chloro-1-methyl-1H-indene

4-chloro-1-methyl-1H-indene (PubChem CID 141174083) has the molecular formula C10H9Cl and a molecular weight of 164.63 g/mol. Its IUPAC name is 4-chloro-1-methyl-1H-indene.

Molecular Properties

Compound Name4-chloro-1-methyl-1H-indene
PubChem CID141174083
Molecular FormulaC10H9Cl
Molecular Weight164.63 g/mol
Exact Mass164.04
IUPAC Name4-chloro-1-methyl-1H-indene
SMILESCC1C=Cc2c(Cl)cccc21
InChIInChI=1S/C10H9Cl/c1-7-5-6-9-8(7)3-2-4-10(9)11/h2-7H,1H3
InChIKeyMFRAXNORQVMNKU-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.63
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-1H-indene?
The IUPAC name of 4-chloro-1-methyl-1H-indene (CID 141174083) is 4-chloro-1-methyl-1H-indene.
What is the SMILES notation for 4-chloro-1-methyl-1H-indene?
The canonical SMILES for 4-chloro-1-methyl-1H-indene is CC1C=Cc2c(Cl)cccc21.
What is the InChIKey of 4-chloro-1-methyl-1H-indene?
The InChIKey is MFRAXNORQVMNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl/c1-7-5-6-9-8(7)3-2-4-10(9)11/h2-7H,1H3.
What are the key properties of 4-chloro-1-methyl-1H-indene?
4-chloro-1-methyl-1H-indene has a molecular weight of 164.63 g/mol, XLogP of 3.47, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-1H-indene is sourced from PubChem (CID 141174083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).