naphtho[1,2-c]chromen-5-one

C17H10O2 — CID 102526290

IUPACnaphtho[1,2-c]chromen-5-one
SMILESO=c1oc2ccccc2c2ccc3ccccc3c12
InChIInChI=1S/C17H10O2/c18-17-16-12-6-2-1-5-11(12)9-10-14(16)13-7-3-4-8-15(13)19-17/h1-10H
InChIKeyXMUDFWMLPCERRK-UHFFFAOYSA-N
MW246.27 g/mol
LogP4.10
Rot. Bonds

About naphtho[1,2-c]chromen-5-one

naphtho[1,2-c]chromen-5-one (PubChem CID 102526290) has the molecular formula C17H10O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is naphtho[1,2-c]chromen-5-one.

Molecular Properties

Compound Namenaphtho[1,2-c]chromen-5-one
PubChem CID102526290
Molecular FormulaC17H10O2
Molecular Weight246.27 g/mol
Exact Mass246.07
IUPAC Namenaphtho[1,2-c]chromen-5-one
SMILESO=c1oc2ccccc2c2ccc3ccccc3c12
InChIInChI=1S/C17H10O2/c18-17-16-12-6-2-1-5-11(12)9-10-14(16)13-7-3-4-8-15(13)19-17/h1-10H
InChIKeyXMUDFWMLPCERRK-UHFFFAOYSA-N
XLogP4.10
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 naphtho[1,2-c]chromen-5-one?
The IUPAC name of naphtho[1,2-c]chromen-5-one (CID 102526290) is naphtho[1,2-c]chromen-5-one.
What is the SMILES notation for naphtho[1,2-c]chromen-5-one?
The canonical SMILES for naphtho[1,2-c]chromen-5-one is O=c1oc2ccccc2c2ccc3ccccc3c12.
What is the InChIKey of naphtho[1,2-c]chromen-5-one?
The InChIKey is XMUDFWMLPCERRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10O2/c18-17-16-12-6-2-1-5-11(12)9-10-14(16)13-7-3-4-8-15(13)19-17/h1-10H.
What are the key properties of naphtho[1,2-c]chromen-5-one?
naphtho[1,2-c]chromen-5-one has a molecular weight of 246.27 g/mol, XLogP of 4.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphtho[1,2-c]chromen-5-one is sourced from PubChem (CID 102526290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).