7-amino-8-hydroxy-2-methylbenzo[c]chromen-6-one

C14H11NO3 — CID 14631583

IUPAC7-amino-8-hydroxy-2-methylbenzo[c]chromen-6-one
SMILESCc1ccc2oc(=O)c3c(N)c(O)ccc3c2c1
InChIInChI=1S/C14H11NO3/c1-7-2-5-11-9(6-7)8-3-4-10(16)13(15)12(8)14(17)18-11/h2-6,16H,15H2,1H3
InChIKeyOZGUXFSOXAHCMH-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.54
Rot. Bonds

About 7-amino-8-hydroxy-2-methylbenzo[c]chromen-6-one

7-amino-8-hydroxy-2-methylbenzo[c]chromen-6-one (PubChem CID 14631583) has the molecular formula C14H11NO3 and a molecular weight of 241.25 g/mol. Its IUPAC name is 7-amino-8-hydroxy-2-methylbenzo[c]chromen-6-one.

Molecular Properties

Compound Name7-amino-8-hydroxy-2-methylbenzo[c]chromen-6-one
PubChem CID14631583
Molecular FormulaC14H11NO3
Molecular Weight241.25 g/mol
Exact Mass241.07
IUPAC Name7-amino-8-hydroxy-2-methylbenzo[c]chromen-6-one
SMILESCc1ccc2oc(=O)c3c(N)c(O)ccc3c2c1
InChIInChI=1S/C14H11NO3/c1-7-2-5-11-9(6-7)8-3-4-10(16)13(15)12(8)14(17)18-11/h2-6,16H,15H2,1H3
InChIKeyOZGUXFSOXAHCMH-UHFFFAOYSA-N
XLogP2.54
TPSA76.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-amino-8-hydroxy-2-methylbenzo[c]chromen-6-one?
The IUPAC name of 7-amino-8-hydroxy-2-methylbenzo[c]chromen-6-one (CID 14631583) is 7-amino-8-hydroxy-2-methylbenzo[c]chromen-6-one.
What is the SMILES notation for 7-amino-8-hydroxy-2-methylbenzo[c]chromen-6-one?
The canonical SMILES for 7-amino-8-hydroxy-2-methylbenzo[c]chromen-6-one is Cc1ccc2oc(=O)c3c(N)c(O)ccc3c2c1.
What is the InChIKey of 7-amino-8-hydroxy-2-methylbenzo[c]chromen-6-one?
The InChIKey is OZGUXFSOXAHCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3/c1-7-2-5-11-9(6-7)8-3-4-10(16)13(15)12(8)14(17)18-11/h2-6,16H,15H2,1H3.
What are the key properties of 7-amino-8-hydroxy-2-methylbenzo[c]chromen-6-one?
7-amino-8-hydroxy-2-methylbenzo[c]chromen-6-one has a molecular weight of 241.25 g/mol, XLogP of 2.54, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-8-hydroxy-2-methylbenzo[c]chromen-6-one is sourced from PubChem (CID 14631583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).