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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Related Compounds

[(2R,3S)-5-methoxy-2-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]methanol
CID 101241547
N-ethyl-6-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-amine
CID 114713010
(2S,3R)-3-(hydroxymethyl)-2-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran-5-ol
CID 11482661
6-methoxy-4-phenyl-2-(2-phenylethyl)-4H-1,3-benzodioxine
CID 102077286
(4R)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-amine
CID 104944729
5-phenylmethoxy-2-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 83039045
(2R,3R)-3-hydroxy-7-methoxy-2-phenyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 59863917
(4S)-2-butyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104946892
(4S)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-ol
CID 104948683
(4R)-2-(4-ethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104951076
(4R)-2-heptyl-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104950983
(4R)-2-heptyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104946961

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).