2-(4-methoxyphenyl)indeno[2,1-b]pyran

C19H14O2 — CID 822916

IUPAC2-(4-methoxyphenyl)indeno[2,1-b]pyran
SMILESCOc1ccc(-c2ccc3c4ccccc4cc-3o2)cc1
InChIInChI=1S/C19H14O2/c1-20-15-8-6-13(7-9-15)18-11-10-17-16-5-3-2-4-14(16)12-19(17)21-18/h2-12H,1H3
InChIKeyKDQWMBXHQRGXPL-UHFFFAOYSA-N
MW274.32 g/mol
LogP5.21
Rot. Bonds2

About 2-(4-methoxyphenyl)indeno[2,1-b]pyran

2-(4-methoxyphenyl)indeno[2,1-b]pyran (PubChem CID 822916) has the molecular formula C19H14O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)indeno[2,1-b]pyran.

Molecular Properties

Compound Name2-(4-methoxyphenyl)indeno[2,1-b]pyran
PubChem CID822916
Molecular FormulaC19H14O2
Molecular Weight274.32 g/mol
Exact Mass274.10
IUPAC Name2-(4-methoxyphenyl)indeno[2,1-b]pyran
SMILESCOc1ccc(-c2ccc3c4ccccc4cc-3o2)cc1
InChIInChI=1S/C19H14O2/c1-20-15-8-6-13(7-9-15)18-11-10-17-16-5-3-2-4-14(16)12-19(17)21-18/h2-12H,1H3
InChIKeyKDQWMBXHQRGXPL-UHFFFAOYSA-N
XLogP5.21
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.32
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)indeno[2,1-b]pyran?
The IUPAC name of 2-(4-methoxyphenyl)indeno[2,1-b]pyran (CID 822916) is 2-(4-methoxyphenyl)indeno[2,1-b]pyran.
What is the SMILES notation for 2-(4-methoxyphenyl)indeno[2,1-b]pyran?
The canonical SMILES for 2-(4-methoxyphenyl)indeno[2,1-b]pyran is COc1ccc(-c2ccc3c4ccccc4cc-3o2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)indeno[2,1-b]pyran?
The InChIKey is KDQWMBXHQRGXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O2/c1-20-15-8-6-13(7-9-15)18-11-10-17-16-5-3-2-4-14(16)12-19(17)21-18/h2-12H,1H3.
What are the key properties of 2-(4-methoxyphenyl)indeno[2,1-b]pyran?
2-(4-methoxyphenyl)indeno[2,1-b]pyran has a molecular weight of 274.32 g/mol, XLogP of 5.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)indeno[2,1-b]pyran is sourced from PubChem (CID 822916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).