2-buta-1,2-dienyl-4,7-dimethoxy-1H-indene

C15H16O2 — CID 132578741

IUPAC2-buta-1,2-dienyl-4,7-dimethoxy-1H-indene
SMILESCC=C=CC1=Cc2c(OC)ccc(OC)c2C1
InChIInChI=1S/C15H16O2/c1-4-5-6-11-9-12-13(10-11)15(17-3)8-7-14(12)16-2/h4,6-9H,10H2,1-3H3
InChIKeyMCTDPKXQFMHZOZ-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.37
Rot. Bonds3

About 2-buta-1,2-dienyl-4,7-dimethoxy-1H-indene

2-buta-1,2-dienyl-4,7-dimethoxy-1H-indene (PubChem CID 132578741) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-buta-1,2-dienyl-4,7-dimethoxy-1H-indene.

Molecular Properties

Compound Name2-buta-1,2-dienyl-4,7-dimethoxy-1H-indene
PubChem CID132578741
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name2-buta-1,2-dienyl-4,7-dimethoxy-1H-indene
SMILESCC=C=CC1=Cc2c(OC)ccc(OC)c2C1
InChIInChI=1S/C15H16O2/c1-4-5-6-11-9-12-13(10-11)15(17-3)8-7-14(12)16-2/h4,6-9H,10H2,1-3H3
InChIKeyMCTDPKXQFMHZOZ-UHFFFAOYSA-N
XLogP3.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-buta-1,2-dienyl-4,7-dimethoxy-1H-indene?
The IUPAC name of 2-buta-1,2-dienyl-4,7-dimethoxy-1H-indene (CID 132578741) is 2-buta-1,2-dienyl-4,7-dimethoxy-1H-indene.
What is the SMILES notation for 2-buta-1,2-dienyl-4,7-dimethoxy-1H-indene?
The canonical SMILES for 2-buta-1,2-dienyl-4,7-dimethoxy-1H-indene is CC=C=CC1=Cc2c(OC)ccc(OC)c2C1.
What is the InChIKey of 2-buta-1,2-dienyl-4,7-dimethoxy-1H-indene?
The InChIKey is MCTDPKXQFMHZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c1-4-5-6-11-9-12-13(10-11)15(17-3)8-7-14(12)16-2/h4,6-9H,10H2,1-3H3.
What are the key properties of 2-buta-1,2-dienyl-4,7-dimethoxy-1H-indene?
2-buta-1,2-dienyl-4,7-dimethoxy-1H-indene has a molecular weight of 228.29 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-buta-1,2-dienyl-4,7-dimethoxy-1H-indene is sourced from PubChem (CID 132578741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).