8-amino-3-hydroxy-4,7-dimethylbenzo[c]chromen-6-one

C15H13NO3 — CID 10060912

IUPAC8-amino-3-hydroxy-4,7-dimethylbenzo[c]chromen-6-one
SMILESCc1c(O)ccc2c1oc(=O)c1c(C)c(N)ccc12
InChIInChI=1S/C15H13NO3/c1-7-11(16)5-3-9-10-4-6-12(17)8(2)14(10)19-15(18)13(7)9/h3-6,17H,16H2,1-2H3
InChIKeyRDSPSMPVXHZZAS-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.85
Rot. Bonds

About 8-amino-3-hydroxy-4,7-dimethylbenzo[c]chromen-6-one

8-amino-3-hydroxy-4,7-dimethylbenzo[c]chromen-6-one (PubChem CID 10060912) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 8-amino-3-hydroxy-4,7-dimethylbenzo[c]chromen-6-one.

Molecular Properties

Compound Name8-amino-3-hydroxy-4,7-dimethylbenzo[c]chromen-6-one
PubChem CID10060912
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name8-amino-3-hydroxy-4,7-dimethylbenzo[c]chromen-6-one
SMILESCc1c(O)ccc2c1oc(=O)c1c(C)c(N)ccc12
InChIInChI=1S/C15H13NO3/c1-7-11(16)5-3-9-10-4-6-12(17)8(2)14(10)19-15(18)13(7)9/h3-6,17H,16H2,1-2H3
InChIKeyRDSPSMPVXHZZAS-UHFFFAOYSA-N
XLogP2.85
TPSA76.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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 8-amino-3-hydroxy-4,7-dimethylbenzo[c]chromen-6-one?
The IUPAC name of 8-amino-3-hydroxy-4,7-dimethylbenzo[c]chromen-6-one (CID 10060912) is 8-amino-3-hydroxy-4,7-dimethylbenzo[c]chromen-6-one.
What is the SMILES notation for 8-amino-3-hydroxy-4,7-dimethylbenzo[c]chromen-6-one?
The canonical SMILES for 8-amino-3-hydroxy-4,7-dimethylbenzo[c]chromen-6-one is Cc1c(O)ccc2c1oc(=O)c1c(C)c(N)ccc12.
What is the InChIKey of 8-amino-3-hydroxy-4,7-dimethylbenzo[c]chromen-6-one?
The InChIKey is RDSPSMPVXHZZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c1-7-11(16)5-3-9-10-4-6-12(17)8(2)14(10)19-15(18)13(7)9/h3-6,17H,16H2,1-2H3.
What are the key properties of 8-amino-3-hydroxy-4,7-dimethylbenzo[c]chromen-6-one?
8-amino-3-hydroxy-4,7-dimethylbenzo[c]chromen-6-one has a molecular weight of 255.27 g/mol, XLogP of 2.85, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-3-hydroxy-4,7-dimethylbenzo[c]chromen-6-one is sourced from PubChem (CID 10060912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).