3-phenyl-1H-benzo[f]chromene

C19H14O — CID 14472235

IUPAC3-phenyl-1H-benzo[f]chromene
SMILESC1=C(c2ccccc2)Oc2ccc3ccccc3c2C1
InChIInChI=1S/C19H14O/c1-2-7-15(8-3-1)18-13-11-17-16-9-5-4-6-14(16)10-12-19(17)20-18/h1-10,12-13H,11H2
InChIKeyNZEDCNCRJNMQNV-UHFFFAOYSA-N
MW258.32 g/mol
LogP4.82
Rot. Bonds1

About 3-phenyl-1H-benzo[f]chromene

3-phenyl-1H-benzo[f]chromene (PubChem CID 14472235) has the molecular formula C19H14O and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-phenyl-1H-benzo[f]chromene.

Molecular Properties

Compound Name3-phenyl-1H-benzo[f]chromene
PubChem CID14472235
Molecular FormulaC19H14O
Molecular Weight258.32 g/mol
Exact Mass258.10
IUPAC Name3-phenyl-1H-benzo[f]chromene
SMILESC1=C(c2ccccc2)Oc2ccc3ccccc3c2C1
InChIInChI=1S/C19H14O/c1-2-7-15(8-3-1)18-13-11-17-16-9-5-4-6-14(16)10-12-19(17)20-18/h1-10,12-13H,11H2
InChIKeyNZEDCNCRJNMQNV-UHFFFAOYSA-N
XLogP4.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1H-benzo[f]chromene?
The IUPAC name of 3-phenyl-1H-benzo[f]chromene (CID 14472235) is 3-phenyl-1H-benzo[f]chromene.
What is the SMILES notation for 3-phenyl-1H-benzo[f]chromene?
The canonical SMILES for 3-phenyl-1H-benzo[f]chromene is C1=C(c2ccccc2)Oc2ccc3ccccc3c2C1.
What is the InChIKey of 3-phenyl-1H-benzo[f]chromene?
The InChIKey is NZEDCNCRJNMQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O/c1-2-7-15(8-3-1)18-13-11-17-16-9-5-4-6-14(16)10-12-19(17)20-18/h1-10,12-13H,11H2.
What are the key properties of 3-phenyl-1H-benzo[f]chromene?
3-phenyl-1H-benzo[f]chromene has a molecular weight of 258.32 g/mol, XLogP of 4.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1H-benzo[f]chromene is sourced from PubChem (CID 14472235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).