2-chloro-4H-chromene

C9H7ClO — CID 66790877

IUPAC2-chloro-4H-chromene
SMILESClC1=CCc2ccccc2O1
InChIInChI=1S/C9H7ClO/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-4,6H,5H2
InChIKeyIHGYCCCRDBPVDF-UHFFFAOYSA-N
MW166.61 g/mol
LogP2.70
Rot. Bonds

About 2-chloro-4H-chromene

2-chloro-4H-chromene (PubChem CID 66790877) has the molecular formula C9H7ClO and a molecular weight of 166.61 g/mol. Its IUPAC name is 2-chloro-4H-chromene.

Molecular Properties

Compound Name2-chloro-4H-chromene
PubChem CID66790877
Molecular FormulaC9H7ClO
Molecular Weight166.61 g/mol
Exact Mass166.02
IUPAC Name2-chloro-4H-chromene
SMILESClC1=CCc2ccccc2O1
InChIInChI=1S/C9H7ClO/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-4,6H,5H2
InChIKeyIHGYCCCRDBPVDF-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4H-chromene?
The IUPAC name of 2-chloro-4H-chromene (CID 66790877) is 2-chloro-4H-chromene.
What is the SMILES notation for 2-chloro-4H-chromene?
The canonical SMILES for 2-chloro-4H-chromene is ClC1=CCc2ccccc2O1.
What is the InChIKey of 2-chloro-4H-chromene?
The InChIKey is IHGYCCCRDBPVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClO/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-4,6H,5H2.
What are the key properties of 2-chloro-4H-chromene?
2-chloro-4H-chromene has a molecular weight of 166.61 g/mol, XLogP of 2.70, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4H-chromene is sourced from PubChem (CID 66790877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).