6-chloro-4H-chromene

C9H7ClO — CID 57115030

IUPAC6-chloro-4H-chromene
SMILESClc1ccc2c(c1)CC=CO2
InChIInChI=1S/C9H7ClO/c10-8-3-4-9-7(6-8)2-1-5-11-9/h1,3-6H,2H2
InChIKeyWLQLQIBGFUDIRL-UHFFFAOYSA-N
MW166.61 g/mol
LogP2.79
Rot. Bonds

About 6-chloro-4H-chromene

6-chloro-4H-chromene (PubChem CID 57115030) has the molecular formula C9H7ClO and a molecular weight of 166.61 g/mol. Its IUPAC name is 6-chloro-4H-chromene.

Molecular Properties

Compound Name6-chloro-4H-chromene
PubChem CID57115030
Molecular FormulaC9H7ClO
Molecular Weight166.61 g/mol
Exact Mass166.02
IUPAC Name6-chloro-4H-chromene
SMILESClc1ccc2c(c1)CC=CO2
InChIInChI=1S/C9H7ClO/c10-8-3-4-9-7(6-8)2-1-5-11-9/h1,3-6H,2H2
InChIKeyWLQLQIBGFUDIRL-UHFFFAOYSA-N
XLogP2.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.61
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4H-chromene?
The IUPAC name of 6-chloro-4H-chromene (CID 57115030) is 6-chloro-4H-chromene.
What is the SMILES notation for 6-chloro-4H-chromene?
The canonical SMILES for 6-chloro-4H-chromene is Clc1ccc2c(c1)CC=CO2.
What is the InChIKey of 6-chloro-4H-chromene?
The InChIKey is WLQLQIBGFUDIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClO/c10-8-3-4-9-7(6-8)2-1-5-11-9/h1,3-6H,2H2.
What are the key properties of 6-chloro-4H-chromene?
6-chloro-4H-chromene has a molecular weight of 166.61 g/mol, XLogP of 2.79, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4H-chromene is sourced from PubChem (CID 57115030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).