3-(furan-2-yl)-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol

C16H16O3 — CID 105129193

IUPAC3-(furan-2-yl)-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol
SMILESCc1ccc2oc(C(O)CCc3ccco3)cc2c1
InChIInChI=1S/C16H16O3/c1-11-4-7-15-12(9-11)10-16(19-15)14(17)6-5-13-3-2-8-18-13/h2-4,7-10,14,17H,5-6H2,1H3
InChIKeyJDSOVTKEYVWMNP-UHFFFAOYSA-N
MW256.30 g/mol
LogP4.00
Rot. Bonds4

About 3-(furan-2-yl)-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol

3-(furan-2-yl)-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol (PubChem CID 105129193) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 3-(furan-2-yl)-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-(furan-2-yl)-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol
PubChem CID105129193
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name3-(furan-2-yl)-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol
SMILESCc1ccc2oc(C(O)CCc3ccco3)cc2c1
InChIInChI=1S/C16H16O3/c1-11-4-7-15-12(9-11)10-16(19-15)14(17)6-5-13-3-2-8-18-13/h2-4,7-10,14,17H,5-6H2,1H3
InChIKeyJDSOVTKEYVWMNP-UHFFFAOYSA-N
XLogP4.00
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-methyl-1-benzofuran-2-yl)-3-(2-methylphenyl)propan-1-ol
CID 105129184
1-(5-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-ol
CID 105129170
5,5,5-trifluoro-1-(5-methyl-1-benzofuran-2-yl)pentan-1-ol
CID 105120593
3-ethylsulfanyl-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol
CID 114724900
3-(diethylamino)-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol
CID 114726904
2-(3,5-dimethylphenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol
CID 114726442
1-(5-chloro-1-benzofuran-2-yl)-3-(4-methylphenyl)propan-1-ol
CID 105129392
2-(3,4-dimethylphenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol
CID 63017844
1-(5-methyl-1-benzofuran-2-yl)-2-(2-methylpropylamino)ethanol
CID 114735119
1-(5-methyl-1-benzofuran-2-yl)-2-(2-methylpropylsulfanyl)ethanol
CID 114726614
2-(3-fluorophenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol
CID 63016416
1-(2,5-dimethylphenyl)-4-(furan-2-yl)butan-2-amine
CID 55087006

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol?
The IUPAC name of 3-(furan-2-yl)-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol (CID 105129193) is 3-(furan-2-yl)-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol.
What is the SMILES notation for 3-(furan-2-yl)-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol?
The canonical SMILES for 3-(furan-2-yl)-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol is Cc1ccc2oc(C(O)CCc3ccco3)cc2c1.
What is the InChIKey of 3-(furan-2-yl)-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol?
The InChIKey is JDSOVTKEYVWMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-11-4-7-15-12(9-11)10-16(19-15)14(17)6-5-13-3-2-8-18-13/h2-4,7-10,14,17H,5-6H2,1H3.
What are the key properties of 3-(furan-2-yl)-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol?
3-(furan-2-yl)-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol has a molecular weight of 256.30 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol is sourced from PubChem (CID 105129193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).