2-benzylbenzo[f]chromen-3-one

C20H14O2 — CID 10731937

IUPAC2-benzylbenzo[f]chromen-3-one
SMILESO=c1oc2ccc3ccccc3c2cc1Cc1ccccc1
InChIInChI=1S/C20H14O2/c21-20-16(12-14-6-2-1-3-7-14)13-18-17-9-5-4-8-15(17)10-11-19(18)22-20/h1-11,13H,12H2
InChIKeyOOALWLFUSOVWMV-UHFFFAOYSA-N
MW286.33 g/mol
LogP4.54
Rot. Bonds2

About 2-benzylbenzo[f]chromen-3-one

2-benzylbenzo[f]chromen-3-one (PubChem CID 10731937) has the molecular formula C20H14O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-benzylbenzo[f]chromen-3-one.

Molecular Properties

Compound Name2-benzylbenzo[f]chromen-3-one
PubChem CID10731937
Molecular FormulaC20H14O2
Molecular Weight286.33 g/mol
Exact Mass286.10
IUPAC Name2-benzylbenzo[f]chromen-3-one
SMILESO=c1oc2ccc3ccccc3c2cc1Cc1ccccc1
InChIInChI=1S/C20H14O2/c21-20-16(12-14-6-2-1-3-7-14)13-18-17-9-5-4-8-15(17)10-11-19(18)22-20/h1-11,13H,12H2
InChIKeyOOALWLFUSOVWMV-UHFFFAOYSA-N
XLogP4.54
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 54.54
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 2-benzylbenzo[f]chromen-3-one?
The IUPAC name of 2-benzylbenzo[f]chromen-3-one (CID 10731937) is 2-benzylbenzo[f]chromen-3-one.
What is the SMILES notation for 2-benzylbenzo[f]chromen-3-one?
The canonical SMILES for 2-benzylbenzo[f]chromen-3-one is O=c1oc2ccc3ccccc3c2cc1Cc1ccccc1.
What is the InChIKey of 2-benzylbenzo[f]chromen-3-one?
The InChIKey is OOALWLFUSOVWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O2/c21-20-16(12-14-6-2-1-3-7-14)13-18-17-9-5-4-8-15(17)10-11-19(18)22-20/h1-11,13H,12H2.
What are the key properties of 2-benzylbenzo[f]chromen-3-one?
2-benzylbenzo[f]chromen-3-one has a molecular weight of 286.33 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylbenzo[f]chromen-3-one is sourced from PubChem (CID 10731937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).