1-(1,3-dihydro-2-benzofuran-5-yl)-3-(oxolan-2-yl)propan-1-ol

C15H20O3 — CID 65158240

IUPAC1-(1,3-dihydro-2-benzofuran-5-yl)-3-(oxolan-2-yl)propan-1-ol
SMILESOC(CCC1CCCO1)c1ccc2c(c1)COC2
InChIInChI=1S/C15H20O3/c16-15(6-5-14-2-1-7-18-14)11-3-4-12-9-17-10-13(12)8-11/h3-4,8,14-16H,1-2,5-7,9-10H2
InChIKeyUJRSMOOFILBERZ-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.71
Rot. Bonds4

About 1-(1,3-dihydro-2-benzofuran-5-yl)-3-(oxolan-2-yl)propan-1-ol

1-(1,3-dihydro-2-benzofuran-5-yl)-3-(oxolan-2-yl)propan-1-ol (PubChem CID 65158240) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 1-(1,3-dihydro-2-benzofuran-5-yl)-3-(oxolan-2-yl)propan-1-ol.

Molecular Properties

Compound Name1-(1,3-dihydro-2-benzofuran-5-yl)-3-(oxolan-2-yl)propan-1-ol
PubChem CID65158240
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name1-(1,3-dihydro-2-benzofuran-5-yl)-3-(oxolan-2-yl)propan-1-ol
SMILESOC(CCC1CCCO1)c1ccc2c(c1)COC2
InChIInChI=1S/C15H20O3/c16-15(6-5-14-2-1-7-18-14)11-3-4-12-9-17-10-13(12)8-11/h3-4,8,14-16H,1-2,5-7,9-10H2
InChIKeyUJRSMOOFILBERZ-UHFFFAOYSA-N
XLogP2.71
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[1-chloro-3-(oxolan-2-yl)propyl]-1,3-dihydro-2-benzofuran
CID 65157835
1-(4-chloro-3-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65161657
1-(3-chloro-4-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65167485
1-(3-bromophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65161913
5-[1-hydroxy-3-(oxolan-2-yl)propyl]-1-methyl-3H-indol-2-one
CID 65160268
7-[1-hydroxy-3-(oxolan-2-yl)propyl]-3,4-dihydro-2H-isoquinolin-1-one
CID 65157947
1-(4-methoxyphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65160366
1-(2-methyl-4-pyridinyl)-3-(oxolan-2-yl)propan-1-ol
CID 106756236
1-(6-methyl-3-pyridinyl)-3-(oxolan-2-yl)propan-1-ol
CID 104822985
1-(4-butylphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65160664
1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-3-(oxan-2-yl)propan-1-ol
CID 107294030
1-(4-chloro-3-fluorophenyl)-4-(oxolan-2-yl)butan-1-ol
CID 65161658

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-3-(oxolan-2-yl)propan-1-ol?
The IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-3-(oxolan-2-yl)propan-1-ol (CID 65158240) is 1-(1,3-dihydro-2-benzofuran-5-yl)-3-(oxolan-2-yl)propan-1-ol.
What is the SMILES notation for 1-(1,3-dihydro-2-benzofuran-5-yl)-3-(oxolan-2-yl)propan-1-ol?
The canonical SMILES for 1-(1,3-dihydro-2-benzofuran-5-yl)-3-(oxolan-2-yl)propan-1-ol is OC(CCC1CCCO1)c1ccc2c(c1)COC2.
What is the InChIKey of 1-(1,3-dihydro-2-benzofuran-5-yl)-3-(oxolan-2-yl)propan-1-ol?
The InChIKey is UJRSMOOFILBERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c16-15(6-5-14-2-1-7-18-14)11-3-4-12-9-17-10-13(12)8-11/h3-4,8,14-16H,1-2,5-7,9-10H2.
What are the key properties of 1-(1,3-dihydro-2-benzofuran-5-yl)-3-(oxolan-2-yl)propan-1-ol?
1-(1,3-dihydro-2-benzofuran-5-yl)-3-(oxolan-2-yl)propan-1-ol has a molecular weight of 248.32 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydro-2-benzofuran-5-yl)-3-(oxolan-2-yl)propan-1-ol is sourced from PubChem (CID 65158240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).