5-chloro-1-methoxy-4H-indene

C10H9ClO — CID 57180280

IUPAC5-chloro-1-methoxy-4H-indene
SMILESCOC1=CC=C2CC(Cl)=CC=C21
InChIInChI=1S/C10H9ClO/c1-12-10-5-2-7-6-8(11)3-4-9(7)10/h2-5H,6H2,1H3
InChIKeyWHVSGVQPMNOIRM-UHFFFAOYSA-N
MW180.63 g/mol
LogP2.91
Rot. Bonds1

About 5-chloro-1-methoxy-4H-indene

5-chloro-1-methoxy-4H-indene (PubChem CID 57180280) has the molecular formula C10H9ClO and a molecular weight of 180.63 g/mol. Its IUPAC name is 5-chloro-1-methoxy-4H-indene.

Molecular Properties

Compound Name5-chloro-1-methoxy-4H-indene
PubChem CID57180280
Molecular FormulaC10H9ClO
Molecular Weight180.63 g/mol
Exact Mass180.03
IUPAC Name5-chloro-1-methoxy-4H-indene
SMILESCOC1=CC=C2CC(Cl)=CC=C21
InChIInChI=1S/C10H9ClO/c1-12-10-5-2-7-6-8(11)3-4-9(7)10/h2-5H,6H2,1H3
InChIKeyWHVSGVQPMNOIRM-UHFFFAOYSA-N
XLogP2.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.63
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-chloro-1-methoxy-4H-indene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methoxy-4H-indene?
The IUPAC name of 5-chloro-1-methoxy-4H-indene (CID 57180280) is 5-chloro-1-methoxy-4H-indene.
What is the SMILES notation for 5-chloro-1-methoxy-4H-indene?
The canonical SMILES for 5-chloro-1-methoxy-4H-indene is COC1=CC=C2CC(Cl)=CC=C21.
What is the InChIKey of 5-chloro-1-methoxy-4H-indene?
The InChIKey is WHVSGVQPMNOIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClO/c1-12-10-5-2-7-6-8(11)3-4-9(7)10/h2-5H,6H2,1H3.
What are the key properties of 5-chloro-1-methoxy-4H-indene?
5-chloro-1-methoxy-4H-indene has a molecular weight of 180.63 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methoxy-4H-indene is sourced from PubChem (CID 57180280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).