6-chloro-5H-indeno[1,2-d][1,3]dioxole

C10H7ClO2 — CID 57152058

IUPAC6-chloro-5H-indeno[1,2-d][1,3]dioxole
SMILESClC1=CC=C2C(=CC3=C2OCO3)C1
InChIInChI=1S/C10H7ClO2/c11-7-1-2-8-6(3-7)4-9-10(8)13-5-12-9/h1-2,4H,3,5H2
InChIKeyFAOURDWRKRPRRK-UHFFFAOYSA-N
MW194.62 g/mol
LogP2.60
Rot. Bonds

About 6-chloro-5H-indeno[1,2-d][1,3]dioxole

6-chloro-5H-indeno[1,2-d][1,3]dioxole (PubChem CID 57152058) has the molecular formula C10H7ClO2 and a molecular weight of 194.62 g/mol. Its IUPAC name is 6-chloro-5H-indeno[1,2-d][1,3]dioxole.

Molecular Properties

Compound Name6-chloro-5H-indeno[1,2-d][1,3]dioxole
PubChem CID57152058
Molecular FormulaC10H7ClO2
Molecular Weight194.62 g/mol
Exact Mass194.01
IUPAC Name6-chloro-5H-indeno[1,2-d][1,3]dioxole
SMILESClC1=CC=C2C(=CC3=C2OCO3)C1
InChIInChI=1S/C10H7ClO2/c11-7-1-2-8-6(3-7)4-9-10(8)13-5-12-9/h1-2,4H,3,5H2
InChIKeyFAOURDWRKRPRRK-UHFFFAOYSA-N
XLogP2.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.62
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5H-indeno[1,2-d][1,3]dioxole?
The IUPAC name of 6-chloro-5H-indeno[1,2-d][1,3]dioxole (CID 57152058) is 6-chloro-5H-indeno[1,2-d][1,3]dioxole.
What is the SMILES notation for 6-chloro-5H-indeno[1,2-d][1,3]dioxole?
The canonical SMILES for 6-chloro-5H-indeno[1,2-d][1,3]dioxole is ClC1=CC=C2C(=CC3=C2OCO3)C1.
What is the InChIKey of 6-chloro-5H-indeno[1,2-d][1,3]dioxole?
The InChIKey is FAOURDWRKRPRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClO2/c11-7-1-2-8-6(3-7)4-9-10(8)13-5-12-9/h1-2,4H,3,5H2.
What are the key properties of 6-chloro-5H-indeno[1,2-d][1,3]dioxole?
6-chloro-5H-indeno[1,2-d][1,3]dioxole has a molecular weight of 194.62 g/mol, XLogP of 2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5H-indeno[1,2-d][1,3]dioxole is sourced from PubChem (CID 57152058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).