4-(5-chlorochromenylium-2-yl)phenol

C15H10ClO2+ — CID 53485354

IUPAC4-(5-chlorochromenylium-2-yl)phenol
SMILESOc1ccc(-c2ccc3c(Cl)cccc3[o+]2)cc1
InChIInChI=1S/C15H9ClO2/c16-13-2-1-3-15-12(13)8-9-14(18-15)10-4-6-11(17)7-5-10/h1-9H/p+1
InChIKeyLJWWDZBXLDNJRD-UHFFFAOYSA-O
MW257.70 g/mol
LogP4.74
Rot. Bonds1

About 4-(5-chlorochromenylium-2-yl)phenol

4-(5-chlorochromenylium-2-yl)phenol (PubChem CID 53485354) has the molecular formula C15H10ClO2+ and a molecular weight of 257.70 g/mol. Its IUPAC name is 4-(5-chlorochromenylium-2-yl)phenol.

Molecular Properties

Compound Name4-(5-chlorochromenylium-2-yl)phenol
PubChem CID53485354
Molecular FormulaC15H10ClO2+
Molecular Weight257.70 g/mol
Exact Mass257.04
IUPAC Name4-(5-chlorochromenylium-2-yl)phenol
SMILESOc1ccc(-c2ccc3c(Cl)cccc3[o+]2)cc1
InChIInChI=1S/C15H9ClO2/c16-13-2-1-3-15-12(13)8-9-14(18-15)10-4-6-11(17)7-5-10/h1-9H/p+1
InChIKeyLJWWDZBXLDNJRD-UHFFFAOYSA-O
XLogP4.74
TPSA31.53 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.70
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorochromenylium-2-yl)phenol?
The IUPAC name of 4-(5-chlorochromenylium-2-yl)phenol (CID 53485354) is 4-(5-chlorochromenylium-2-yl)phenol.
What is the SMILES notation for 4-(5-chlorochromenylium-2-yl)phenol?
The canonical SMILES for 4-(5-chlorochromenylium-2-yl)phenol is Oc1ccc(-c2ccc3c(Cl)cccc3[o+]2)cc1.
What is the InChIKey of 4-(5-chlorochromenylium-2-yl)phenol?
The InChIKey is LJWWDZBXLDNJRD-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H9ClO2/c16-13-2-1-3-15-12(13)8-9-14(18-15)10-4-6-11(17)7-5-10/h1-9H/p+1.
What are the key properties of 4-(5-chlorochromenylium-2-yl)phenol?
4-(5-chlorochromenylium-2-yl)phenol has a molecular weight of 257.70 g/mol, XLogP of 4.74, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorochromenylium-2-yl)phenol is sourced from PubChem (CID 53485354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).