5-methoxy-2-phenyl-3-propyl-2,3-dihydro-1-benzofuran

C18H20O2 — CID 132967211

IUPAC5-methoxy-2-phenyl-3-propyl-2,3-dihydro-1-benzofuran
SMILESCCCC1c2cc(OC)ccc2OC1c1ccccc1
InChIInChI=1S/C18H20O2/c1-3-7-15-16-12-14(19-2)10-11-17(16)20-18(15)13-8-5-4-6-9-13/h4-6,8-12,15,18H,3,7H2,1-2H3
InChIKeyXVPJJFLGTNSHAI-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.71
Rot. Bonds4

About 5-methoxy-2-phenyl-3-propyl-2,3-dihydro-1-benzofuran

5-methoxy-2-phenyl-3-propyl-2,3-dihydro-1-benzofuran (PubChem CID 132967211) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 5-methoxy-2-phenyl-3-propyl-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-methoxy-2-phenyl-3-propyl-2,3-dihydro-1-benzofuran
PubChem CID132967211
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name5-methoxy-2-phenyl-3-propyl-2,3-dihydro-1-benzofuran
SMILESCCCC1c2cc(OC)ccc2OC1c1ccccc1
InChIInChI=1S/C18H20O2/c1-3-7-15-16-12-14(19-2)10-11-17(16)20-18(15)13-8-5-4-6-9-13/h4-6,8-12,15,18H,3,7H2,1-2H3
InChIKeyXVPJJFLGTNSHAI-UHFFFAOYSA-N
XLogP4.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-phenyl-3-propyl-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-methoxy-2-phenyl-3-propyl-2,3-dihydro-1-benzofuran (CID 132967211) is 5-methoxy-2-phenyl-3-propyl-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-methoxy-2-phenyl-3-propyl-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-methoxy-2-phenyl-3-propyl-2,3-dihydro-1-benzofuran is CCCC1c2cc(OC)ccc2OC1c1ccccc1.
What is the InChIKey of 5-methoxy-2-phenyl-3-propyl-2,3-dihydro-1-benzofuran?
The InChIKey is XVPJJFLGTNSHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-3-7-15-16-12-14(19-2)10-11-17(16)20-18(15)13-8-5-4-6-9-13/h4-6,8-12,15,18H,3,7H2,1-2H3.
What are the key properties of 5-methoxy-2-phenyl-3-propyl-2,3-dihydro-1-benzofuran?
5-methoxy-2-phenyl-3-propyl-2,3-dihydro-1-benzofuran has a molecular weight of 268.36 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-phenyl-3-propyl-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 132967211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).