3-phenyl-4H-pyran

C11H10O — CID 90919544

IUPAC3-phenyl-4H-pyran
SMILESC1=COC=C(c2ccccc2)C1
InChIInChI=1S/C11H10O/c1-2-5-10(6-3-1)11-7-4-8-12-9-11/h1-6,8-9H,7H2
InChIKeyIFUVCYKGIKNJDO-UHFFFAOYSA-N
MW158.20 g/mol
LogP2.96
Rot. Bonds1

About 3-phenyl-4H-pyran

3-phenyl-4H-pyran (PubChem CID 90919544) has the molecular formula C11H10O and a molecular weight of 158.20 g/mol. Its IUPAC name is 3-phenyl-4H-pyran.

Molecular Properties

Compound Name3-phenyl-4H-pyran
PubChem CID90919544
Molecular FormulaC11H10O
Molecular Weight158.20 g/mol
Exact Mass158.07
IUPAC Name3-phenyl-4H-pyran
SMILESC1=COC=C(c2ccccc2)C1
InChIInChI=1S/C11H10O/c1-2-5-10(6-3-1)11-7-4-8-12-9-11/h1-6,8-9H,7H2
InChIKeyIFUVCYKGIKNJDO-UHFFFAOYSA-N
XLogP2.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-4H-pyran?
The IUPAC name of 3-phenyl-4H-pyran (CID 90919544) is 3-phenyl-4H-pyran.
What is the SMILES notation for 3-phenyl-4H-pyran?
The canonical SMILES for 3-phenyl-4H-pyran is C1=COC=C(c2ccccc2)C1.
What is the InChIKey of 3-phenyl-4H-pyran?
The InChIKey is IFUVCYKGIKNJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O/c1-2-5-10(6-3-1)11-7-4-8-12-9-11/h1-6,8-9H,7H2.
What are the key properties of 3-phenyl-4H-pyran?
3-phenyl-4H-pyran has a molecular weight of 158.20 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-4H-pyran is sourced from PubChem (CID 90919544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).