2-phenyl-2,8a-dihydroindeno[2,1-b]pyran

C18H14O — CID 24870240

IUPAC2-phenyl-2,8a-dihydroindeno[2,1-b]pyran
SMILESC1=CC2=C3C=CC(c4ccccc4)OC3=CC2C=C1
InChIInChI=1S/C18H14O/c1-2-6-13(7-3-1)17-11-10-16-15-9-5-4-8-14(15)12-18(16)19-17/h1-12,14,17H
InChIKeyNEHLCAMNGMPKBI-UHFFFAOYSA-N
MW246.31 g/mol
LogP4.25
Rot. Bonds1

About 2-phenyl-2,8a-dihydroindeno[2,1-b]pyran

2-phenyl-2,8a-dihydroindeno[2,1-b]pyran (PubChem CID 24870240) has the molecular formula C18H14O and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-phenyl-2,8a-dihydroindeno[2,1-b]pyran.

Molecular Properties

Compound Name2-phenyl-2,8a-dihydroindeno[2,1-b]pyran
PubChem CID24870240
Molecular FormulaC18H14O
Molecular Weight246.31 g/mol
Exact Mass246.10
IUPAC Name2-phenyl-2,8a-dihydroindeno[2,1-b]pyran
SMILESC1=CC2=C3C=CC(c4ccccc4)OC3=CC2C=C1
InChIInChI=1S/C18H14O/c1-2-6-13(7-3-1)17-11-10-16-15-9-5-4-8-14(15)12-18(16)19-17/h1-12,14,17H
InChIKeyNEHLCAMNGMPKBI-UHFFFAOYSA-N
XLogP4.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2,8a-dihydroindeno[2,1-b]pyran?
The IUPAC name of 2-phenyl-2,8a-dihydroindeno[2,1-b]pyran (CID 24870240) is 2-phenyl-2,8a-dihydroindeno[2,1-b]pyran.
What is the SMILES notation for 2-phenyl-2,8a-dihydroindeno[2,1-b]pyran?
The canonical SMILES for 2-phenyl-2,8a-dihydroindeno[2,1-b]pyran is C1=CC2=C3C=CC(c4ccccc4)OC3=CC2C=C1.
What is the InChIKey of 2-phenyl-2,8a-dihydroindeno[2,1-b]pyran?
The InChIKey is NEHLCAMNGMPKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O/c1-2-6-13(7-3-1)17-11-10-16-15-9-5-4-8-14(15)12-18(16)19-17/h1-12,14,17H.
What are the key properties of 2-phenyl-2,8a-dihydroindeno[2,1-b]pyran?
2-phenyl-2,8a-dihydroindeno[2,1-b]pyran has a molecular weight of 246.31 g/mol, XLogP of 4.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2,8a-dihydroindeno[2,1-b]pyran is sourced from PubChem (CID 24870240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).