7-(1-phenylbutoxy)-1-benzofuran

C18H18O2 — CID 142187410

IUPAC7-(1-phenylbutoxy)-1-benzofuran
SMILESCCCC(Oc1cccc2ccoc12)c1ccccc1
InChIInChI=1S/C18H18O2/c1-2-7-16(14-8-4-3-5-9-14)20-17-11-6-10-15-12-13-19-18(15)17/h3-6,8-13,16H,2,7H2,1H3
InChIKeyUQIWETIZSKSLKV-UHFFFAOYSA-N
MW266.34 g/mol
LogP5.35
Rot. Bonds5

About 7-(1-phenylbutoxy)-1-benzofuran

7-(1-phenylbutoxy)-1-benzofuran (PubChem CID 142187410) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 7-(1-phenylbutoxy)-1-benzofuran.

Molecular Properties

Compound Name7-(1-phenylbutoxy)-1-benzofuran
PubChem CID142187410
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name7-(1-phenylbutoxy)-1-benzofuran
SMILESCCCC(Oc1cccc2ccoc12)c1ccccc1
InChIInChI=1S/C18H18O2/c1-2-7-16(14-8-4-3-5-9-14)20-17-11-6-10-15-12-13-19-18(15)17/h3-6,8-13,16H,2,7H2,1H3
InChIKeyUQIWETIZSKSLKV-UHFFFAOYSA-N
XLogP5.35
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.34
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3S)-3-(1-benzofuran-7-yloxy)-2-fluoro-N,N-dimethyl-3-phenylpropan-1-amine
CID 58685553
(2S,3S)-3-(1-benzofuran-7-yloxy)-2-fluoro-N,N-dimethyl-3-phenylpropan-1-amine
CID 58685558
3-(1-benzofuran-7-yloxy)-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 146380553
(3R)-3-(1-benzofuran-7-yloxy)-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 146380552
(4S)-4-(1-benzofuran-7-yloxy)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 166711998
2-(1-phenylpentoxy)phenol
CID 67179241
(3R)-3-(1-benzofuran-4-yloxy)-N-methyl-3-phenylpropan-1-amine
CID 58630691
11-(1-benzofuran-7-yloxy)undecan-2-amine
CID 70165041
1-methyl-4-(1-phenylbutoxy)benzene
CID 59718095
(3S)-3-(1-benzofuran-7-yloxy)-N-methyl-3-(1,3-thiazol-2-yl)propan-1-amine;sulfane
CID 165059195
2-[(3S)-3-(1-benzofuran-7-yloxy)-3-thiophen-2-ylpropyl]isoindole-1,3-dione;sulfane
CID 165064554
7-butyl-1-benzofuran
CID 68789907

Frequently Asked Questions

What is the IUPAC name of 7-(1-phenylbutoxy)-1-benzofuran?
The IUPAC name of 7-(1-phenylbutoxy)-1-benzofuran (CID 142187410) is 7-(1-phenylbutoxy)-1-benzofuran.
What is the SMILES notation for 7-(1-phenylbutoxy)-1-benzofuran?
The canonical SMILES for 7-(1-phenylbutoxy)-1-benzofuran is CCCC(Oc1cccc2ccoc12)c1ccccc1.
What is the InChIKey of 7-(1-phenylbutoxy)-1-benzofuran?
The InChIKey is UQIWETIZSKSLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-2-7-16(14-8-4-3-5-9-14)20-17-11-6-10-15-12-13-19-18(15)17/h3-6,8-13,16H,2,7H2,1H3.
What are the key properties of 7-(1-phenylbutoxy)-1-benzofuran?
7-(1-phenylbutoxy)-1-benzofuran has a molecular weight of 266.34 g/mol, XLogP of 5.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-phenylbutoxy)-1-benzofuran is sourced from PubChem (CID 142187410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).