1-(7-ethoxy-1-benzofuran-2-yl)propan-2-ol

C13H16O3 — CID 82264246

IUPAC1-(7-ethoxy-1-benzofuran-2-yl)propan-2-ol
SMILESCCOc1cccc2cc(CC(C)O)oc12
InChIInChI=1S/C13H16O3/c1-3-15-12-6-4-5-10-8-11(7-9(2)14)16-13(10)12/h4-6,8-9,14H,3,7H2,1-2H3
InChIKeyCAEPFBYYDHJQRS-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.75
Rot. Bonds4

About 1-(7-ethoxy-1-benzofuran-2-yl)propan-2-ol

1-(7-ethoxy-1-benzofuran-2-yl)propan-2-ol (PubChem CID 82264246) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-(7-ethoxy-1-benzofuran-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(7-ethoxy-1-benzofuran-2-yl)propan-2-ol
PubChem CID82264246
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name1-(7-ethoxy-1-benzofuran-2-yl)propan-2-ol
SMILESCCOc1cccc2cc(CC(C)O)oc12
InChIInChI=1S/C13H16O3/c1-3-15-12-6-4-5-10-8-11(7-9(2)14)16-13(10)12/h4-6,8-9,14H,3,7H2,1-2H3
InChIKeyCAEPFBYYDHJQRS-UHFFFAOYSA-N
XLogP2.75
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(7-ethoxy-1-benzofuran-2-yl)methyl]ethanamine
CID 65440347
1-[1-(7-ethoxy-1-benzofuran-2-yl)ethylamino]ethanol
CID 175788600
1-[1-(7-ethoxy-1-benzofuran-2-yl)ethylamino]-2-methylpropan-2-ol
CID 175788612
1-[2-(7-ethoxy-1-benzofuran-2-yl)ethyl]piperazine
CID 82264255
3-acetyl-8-ethoxychromen-2-one
CID 3266617
3-[(2S)-2-hydroxypropyl]isochromen-1-one
CID 25058370
4-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]pentanamide
CID 120559371
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-fluoroprop-2-enamide
CID 166417291
1-(2-ethoxy-6-methoxyphenyl)propan-2-ol
CID 117300607
ethyl 8-ethoxy-2-oxochromene-3-carboxylate
CID 4084032
(2-ethoxyphenyl)-(7-methyl-1-benzofuran-2-yl)methanol
CID 114723269
8-ethoxy-2-oxochromene-3-sulfonamide
CID 164628509

Frequently Asked Questions

What is the IUPAC name of 1-(7-ethoxy-1-benzofuran-2-yl)propan-2-ol?
The IUPAC name of 1-(7-ethoxy-1-benzofuran-2-yl)propan-2-ol (CID 82264246) is 1-(7-ethoxy-1-benzofuran-2-yl)propan-2-ol.
What is the SMILES notation for 1-(7-ethoxy-1-benzofuran-2-yl)propan-2-ol?
The canonical SMILES for 1-(7-ethoxy-1-benzofuran-2-yl)propan-2-ol is CCOc1cccc2cc(CC(C)O)oc12.
What is the InChIKey of 1-(7-ethoxy-1-benzofuran-2-yl)propan-2-ol?
The InChIKey is CAEPFBYYDHJQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-3-15-12-6-4-5-10-8-11(7-9(2)14)16-13(10)12/h4-6,8-9,14H,3,7H2,1-2H3.
What are the key properties of 1-(7-ethoxy-1-benzofuran-2-yl)propan-2-ol?
1-(7-ethoxy-1-benzofuran-2-yl)propan-2-ol has a molecular weight of 220.27 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-ethoxy-1-benzofuran-2-yl)propan-2-ol is sourced from PubChem (CID 82264246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).