8-chloro-2H-chromene

C9H7ClO — CID 13201893

IUPAC8-chloro-2H-chromene
SMILESClc1cccc2c1OCC=C2
InChIInChI=1S/C9H7ClO/c10-8-5-1-3-7-4-2-6-11-9(7)8/h1-5H,6H2
InChIKeyBTRGIONDRRRSJU-UHFFFAOYSA-N
MW166.61 g/mol
LogP2.75
Rot. Bonds

About 8-chloro-2H-chromene

8-chloro-2H-chromene (PubChem CID 13201893) has the molecular formula C9H7ClO and a molecular weight of 166.61 g/mol. Its IUPAC name is 8-chloro-2H-chromene.

Molecular Properties

Compound Name8-chloro-2H-chromene
PubChem CID13201893
Molecular FormulaC9H7ClO
Molecular Weight166.61 g/mol
Exact Mass166.02
IUPAC Name8-chloro-2H-chromene
SMILESClc1cccc2c1OCC=C2
InChIInChI=1S/C9H7ClO/c10-8-5-1-3-7-4-2-6-11-9(7)8/h1-5H,6H2
InChIKeyBTRGIONDRRRSJU-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-2H-chromene?
The IUPAC name of 8-chloro-2H-chromene (CID 13201893) is 8-chloro-2H-chromene.
What is the SMILES notation for 8-chloro-2H-chromene?
The canonical SMILES for 8-chloro-2H-chromene is Clc1cccc2c1OCC=C2.
What is the InChIKey of 8-chloro-2H-chromene?
The InChIKey is BTRGIONDRRRSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClO/c10-8-5-1-3-7-4-2-6-11-9(7)8/h1-5H,6H2.
What are the key properties of 8-chloro-2H-chromene?
8-chloro-2H-chromene has a molecular weight of 166.61 g/mol, XLogP of 2.75, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2H-chromene is sourced from PubChem (CID 13201893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).