3-(1-benzofuran-7-yl)propan-1-ol

C11H12O2 — CID 117277310

IUPAC3-(1-benzofuran-7-yl)propan-1-ol
SMILESOCCCc1cccc2ccoc12
InChIInChI=1S/C11H12O2/c12-7-2-5-9-3-1-4-10-6-8-13-11(9)10/h1,3-4,6,8,12H,2,5,7H2
InChIKeyYZTLNSPYIBMCHP-UHFFFAOYSA-N
MW176.22 g/mol
LogP2.36
Rot. Bonds3

About 3-(1-benzofuran-7-yl)propan-1-ol

3-(1-benzofuran-7-yl)propan-1-ol (PubChem CID 117277310) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is 3-(1-benzofuran-7-yl)propan-1-ol.

Molecular Properties

Compound Name3-(1-benzofuran-7-yl)propan-1-ol
PubChem CID117277310
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Name3-(1-benzofuran-7-yl)propan-1-ol
SMILESOCCCc1cccc2ccoc12
InChIInChI=1S/C11H12O2/c12-7-2-5-9-3-1-4-10-6-8-13-11(9)10/h1,3-4,6,8,12H,2,5,7H2
InChIKeyYZTLNSPYIBMCHP-UHFFFAOYSA-N
XLogP2.36
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-butyl-1-benzofuran
CID 68789907
7-pentyl-1-benzofuran
CID 90916397
2-(1-benzofuran-7-yl)ethanesulfonyl chloride
CID 84704690
3-naphthalen-1-ylpropan-1-ol
CID 14711518
7-prop-2-enyl-1-benzofuran
CID 130133071
3-(1-benzofuran-7-yl)-2-hydroxypropanoic acid
CID 141399368
[4-(1-benzofuran-7-yl)-2-methylbutan-2-yl]carbamic acid
CID 175312979
3-(2-methyl-1,3-benzoxazol-7-yl)propan-1-ol
CID 117282272
3-(3-methyl-1,2-benzoxazol-7-yl)propan-1-ol
CID 117282266
2-[2-(1-benzofuran-7-yl)ethyl]-1-benzofuran-6-ol
CID 130411346
1-(1-benzofuran-7-yl)-N-methylpropan-2-amine;hydrochloride
CID 132988801
3-(1,3-benzoxazol-4-yl)propan-1-ol
CID 117277496

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-7-yl)propan-1-ol?
The IUPAC name of 3-(1-benzofuran-7-yl)propan-1-ol (CID 117277310) is 3-(1-benzofuran-7-yl)propan-1-ol.
What is the SMILES notation for 3-(1-benzofuran-7-yl)propan-1-ol?
The canonical SMILES for 3-(1-benzofuran-7-yl)propan-1-ol is OCCCc1cccc2ccoc12.
What is the InChIKey of 3-(1-benzofuran-7-yl)propan-1-ol?
The InChIKey is YZTLNSPYIBMCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c12-7-2-5-9-3-1-4-10-6-8-13-11(9)10/h1,3-4,6,8,12H,2,5,7H2.
What are the key properties of 3-(1-benzofuran-7-yl)propan-1-ol?
3-(1-benzofuran-7-yl)propan-1-ol has a molecular weight of 176.22 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-7-yl)propan-1-ol is sourced from PubChem (CID 117277310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).