naphtho[2,1-c]chromen-6-one

C17H10O2 — CID 15492194

IUPACnaphtho[2,1-c]chromen-6-one
SMILESO=c1oc2ccccc2c2c1ccc1ccccc12
InChIInChI=1S/C17H10O2/c18-17-14-10-9-11-5-1-2-6-12(11)16(14)13-7-3-4-8-15(13)19-17/h1-10H
InChIKeyOMHUBOYEMQTQOD-UHFFFAOYSA-N
MW246.27 g/mol
LogP4.10
Rot. Bonds

About naphtho[2,1-c]chromen-6-one

naphtho[2,1-c]chromen-6-one (PubChem CID 15492194) has the molecular formula C17H10O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is naphtho[2,1-c]chromen-6-one.

Molecular Properties

Compound Namenaphtho[2,1-c]chromen-6-one
PubChem CID15492194
Molecular FormulaC17H10O2
Molecular Weight246.27 g/mol
Exact Mass246.07
IUPAC Namenaphtho[2,1-c]chromen-6-one
SMILESO=c1oc2ccccc2c2c1ccc1ccccc12
InChIInChI=1S/C17H10O2/c18-17-14-10-9-11-5-1-2-6-12(11)16(14)13-7-3-4-8-15(13)19-17/h1-10H
InChIKeyOMHUBOYEMQTQOD-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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Related Compounds

Beta-Naphthoflavone
CID 2361
Alpha-Naphthoflavone
CID 11790
Difenacoum
CID 54676884
Cra 13
CID 9799417
Splitomicin
CID 5269
3-Methoxy-7H-benz(de)anthracen-7-one
CID 77267
Phenyl 1-hydroxy-2-naphthoate
CID 67236
2-Naphthyl benzoate
CID 66734
6H-dibenzo(b,d)pyran-6-one
CID 16173
Diphenyl terephthalate
CID 73757
4-Phenyl-1H,3H-naphtho(1,8-cd)pyran-1,3-dione
CID 11818168
4H-1-Benzopyran-4-one, 2-(1-naphthalenyl)-
CID 623335

Frequently Asked Questions

What is the IUPAC name of naphtho[2,1-c]chromen-6-one?
The IUPAC name of naphtho[2,1-c]chromen-6-one (CID 15492194) is naphtho[2,1-c]chromen-6-one.
What is the SMILES notation for naphtho[2,1-c]chromen-6-one?
The canonical SMILES for naphtho[2,1-c]chromen-6-one is O=c1oc2ccccc2c2c1ccc1ccccc12.
What is the InChIKey of naphtho[2,1-c]chromen-6-one?
The InChIKey is OMHUBOYEMQTQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10O2/c18-17-14-10-9-11-5-1-2-6-12(11)16(14)13-7-3-4-8-15(13)19-17/h1-10H.
What are the key properties of naphtho[2,1-c]chromen-6-one?
naphtho[2,1-c]chromen-6-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[2,1-c]chromen-6-one is sourced from PubChem (CID 15492194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).