2-(1-benzofuran-3-yl)propan-1-ol

C11H12O2 — CID 23614436

IUPAC2-(1-benzofuran-3-yl)propan-1-ol
SMILESCC(CO)c1coc2ccccc12
InChIInChI=1S/C11H12O2/c1-8(6-12)10-7-13-11-5-3-2-4-9(10)11/h2-5,7-8,12H,6H2,1H3
InChIKeyQTPQGNQNYRLMKK-UHFFFAOYSA-N
MW176.22 g/mol
LogP2.53
Rot. Bonds2

About 2-(1-benzofuran-3-yl)propan-1-ol

2-(1-benzofuran-3-yl)propan-1-ol (PubChem CID 23614436) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is 2-(1-benzofuran-3-yl)propan-1-ol.

Molecular Properties

Compound Name2-(1-benzofuran-3-yl)propan-1-ol
PubChem CID23614436
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Name2-(1-benzofuran-3-yl)propan-1-ol
SMILESCC(CO)c1coc2ccccc12
InChIInChI=1S/C11H12O2/c1-8(6-12)10-7-13-11-5-3-2-4-9(10)11/h2-5,7-8,12H,6H2,1H3
InChIKeyQTPQGNQNYRLMKK-UHFFFAOYSA-N
XLogP2.53
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-1-benzofuran-3-yl)propan-1-ol
CID 117119144
1-(1-benzofuran-3-yl)-2-bromopropan-1-ol
CID 116863408
lithium;3-(1-fluoroethyl)-1-benzofuran;hydride
CID 175140613
1-(1-benzofuran-3-yl)-N,N-dimethylethanamine
CID 116914687
1-(1-benzofuran-3-yl)-2-methylpentan-1-ol
CID 107892766
2-(aminomethyl)-1-(1-benzofuran-3-yl)-3-methylbutan-1-ol
CID 65185900
N-[(2R)-1-hydroxypropan-2-yl]-1-benzofuran-3-carboxamide
CID 79031060
3-propan-2-yl-2-tritio-1-benzofuran
CID 155790115
4-amino-4-(1-benzofuran-3-yl)butan-2-one
CID 116940622
1-(1-benzofuran-3-yl)-3-methylbutane-1,4-diamine
CID 116934253
2-(1-benzofuran-3-yl)-3-methylbutanenitrile
CID 116964671
1-(1-benzofuran-3-yl)-3-methylbutan-2-one
CID 164836556

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-3-yl)propan-1-ol?
The IUPAC name of 2-(1-benzofuran-3-yl)propan-1-ol (CID 23614436) is 2-(1-benzofuran-3-yl)propan-1-ol.
What is the SMILES notation for 2-(1-benzofuran-3-yl)propan-1-ol?
The canonical SMILES for 2-(1-benzofuran-3-yl)propan-1-ol is CC(CO)c1coc2ccccc12.
What is the InChIKey of 2-(1-benzofuran-3-yl)propan-1-ol?
The InChIKey is QTPQGNQNYRLMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c1-8(6-12)10-7-13-11-5-3-2-4-9(10)11/h2-5,7-8,12H,6H2,1H3.
What are the key properties of 2-(1-benzofuran-3-yl)propan-1-ol?
2-(1-benzofuran-3-yl)propan-1-ol has a molecular weight of 176.22 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-3-yl)propan-1-ol is sourced from PubChem (CID 23614436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).