1-chloro-4aH-benzo[c]chromene

C13H9ClO — CID 154361946

IUPAC1-chloro-4aH-benzo[c]chromene
SMILESClC1=CC=CC2OC=c3ccccc3=C12
InChIInChI=1S/C13H9ClO/c14-11-6-3-7-12-13(11)10-5-2-1-4-9(10)8-15-12/h1-8,12H
InChIKeyXUXZBDVHVKSIIT-UHFFFAOYSA-N
MW216.67 g/mol
LogP1.67
Rot. Bonds

About 1-chloro-4aH-benzo[c]chromene

1-chloro-4aH-benzo[c]chromene (PubChem CID 154361946) has the molecular formula C13H9ClO and a molecular weight of 216.67 g/mol. Its IUPAC name is 1-chloro-4aH-benzo[c]chromene.

Molecular Properties

Compound Name1-chloro-4aH-benzo[c]chromene
PubChem CID154361946
Molecular FormulaC13H9ClO
Molecular Weight216.67 g/mol
Exact Mass216.03
IUPAC Name1-chloro-4aH-benzo[c]chromene
SMILESClC1=CC=CC2OC=c3ccccc3=C12
InChIInChI=1S/C13H9ClO/c14-11-6-3-7-12-13(11)10-5-2-1-4-9(10)8-15-12/h1-8,12H
InChIKeyXUXZBDVHVKSIIT-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4aH-benzo[c]chromene?
The IUPAC name of 1-chloro-4aH-benzo[c]chromene (CID 154361946) is 1-chloro-4aH-benzo[c]chromene.
What is the SMILES notation for 1-chloro-4aH-benzo[c]chromene?
The canonical SMILES for 1-chloro-4aH-benzo[c]chromene is ClC1=CC=CC2OC=c3ccccc3=C12.
What is the InChIKey of 1-chloro-4aH-benzo[c]chromene?
The InChIKey is XUXZBDVHVKSIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClO/c14-11-6-3-7-12-13(11)10-5-2-1-4-9(10)8-15-12/h1-8,12H.
What are the key properties of 1-chloro-4aH-benzo[c]chromene?
1-chloro-4aH-benzo[c]chromene has a molecular weight of 216.67 g/mol, XLogP of 1.67, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4aH-benzo[c]chromene is sourced from PubChem (CID 154361946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).