4-chloro-6H-benzo[c]chromene

C13H9ClO — CID 71560759

IUPAC4-chloro-6H-benzo[c]chromene
SMILESClc1cccc2c1OCc1ccccc1-2
InChIInChI=1S/C13H9ClO/c14-12-7-3-6-11-10-5-2-1-4-9(10)8-15-13(11)12/h1-7H,8H2
InChIKeyBHRRUGNQNXRJBO-UHFFFAOYSA-N
MW216.67 g/mol
LogP3.90
Rot. Bonds

About 4-chloro-6H-benzo[c]chromene

4-chloro-6H-benzo[c]chromene (PubChem CID 71560759) has the molecular formula C13H9ClO and a molecular weight of 216.67 g/mol. Its IUPAC name is 4-chloro-6H-benzo[c]chromene.

Molecular Properties

Compound Name4-chloro-6H-benzo[c]chromene
PubChem CID71560759
Molecular FormulaC13H9ClO
Molecular Weight216.67 g/mol
Exact Mass216.03
IUPAC Name4-chloro-6H-benzo[c]chromene
SMILESClc1cccc2c1OCc1ccccc1-2
InChIInChI=1S/C13H9ClO/c14-12-7-3-6-11-10-5-2-1-4-9(10)8-15-13(11)12/h1-7H,8H2
InChIKeyBHRRUGNQNXRJBO-UHFFFAOYSA-N
XLogP3.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6H-benzo[c]chromene?
The IUPAC name of 4-chloro-6H-benzo[c]chromene (CID 71560759) is 4-chloro-6H-benzo[c]chromene.
What is the SMILES notation for 4-chloro-6H-benzo[c]chromene?
The canonical SMILES for 4-chloro-6H-benzo[c]chromene is Clc1cccc2c1OCc1ccccc1-2.
What is the InChIKey of 4-chloro-6H-benzo[c]chromene?
The InChIKey is BHRRUGNQNXRJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClO/c14-12-7-3-6-11-10-5-2-1-4-9(10)8-15-13(11)12/h1-7H,8H2.
What are the key properties of 4-chloro-6H-benzo[c]chromene?
4-chloro-6H-benzo[c]chromene has a molecular weight of 216.67 g/mol, XLogP of 3.90, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6H-benzo[c]chromene is sourced from PubChem (CID 71560759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).