2-(4-chloro-1-benzofuran-3-yl)propan-1-ol

C11H11ClO2 — CID 117119144

IUPAC2-(4-chloro-1-benzofuran-3-yl)propan-1-ol
SMILESCC(CO)c1coc2cccc(Cl)c12
InChIInChI=1S/C11H11ClO2/c1-7(5-13)8-6-14-10-4-2-3-9(12)11(8)10/h2-4,6-7,13H,5H2,1H3
InChIKeyFEJPZQRNWCGANE-UHFFFAOYSA-N
MW210.66 g/mol
LogP3.18
Rot. Bonds2

About 2-(4-chloro-1-benzofuran-3-yl)propan-1-ol

2-(4-chloro-1-benzofuran-3-yl)propan-1-ol (PubChem CID 117119144) has the molecular formula C11H11ClO2 and a molecular weight of 210.66 g/mol. Its IUPAC name is 2-(4-chloro-1-benzofuran-3-yl)propan-1-ol.

Molecular Properties

Compound Name2-(4-chloro-1-benzofuran-3-yl)propan-1-ol
PubChem CID117119144
Molecular FormulaC11H11ClO2
Molecular Weight210.66 g/mol
Exact Mass210.04
IUPAC Name2-(4-chloro-1-benzofuran-3-yl)propan-1-ol
SMILESCC(CO)c1coc2cccc(Cl)c12
InChIInChI=1S/C11H11ClO2/c1-7(5-13)8-6-14-10-4-2-3-9(12)11(8)10/h2-4,6-7,13H,5H2,1H3
InChIKeyFEJPZQRNWCGANE-UHFFFAOYSA-N
XLogP3.18
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-benzofuran-3-yl)propan-1-ol
CID 23614436
1-(4-chloro-1-benzofuran-3-yl)propan-2-amine
CID 117119159
2-(4-chloro-1-benzothiophen-3-yl)propan-1-ol
CID 117119273
4-chloro-3-(methoxymethyl)-1-benzofuran
CID 117170460
2-(4-methoxy-1-benzofuran-3-yl)propan-1-amine
CID 117119202
3-(4-methoxy-1-benzofuran-3-yl)butanoic acid
CID 117119216
2-(4-chloro-1-benzofuran-3-yl)acetonitrile
CID 57127008
3-[2-chloro-6-[(2R)-1-hydroxypropan-2-yl]phenoxy]pentan-3-ol
CID 163660094
4-[(4-chloro-1-benzofuran-3-yl)methoxy]phenol
CID 117170423
2-(2-chloro-4-methylphenyl)propan-1-ol
CID 117279955
2-[2-[(2-chlorophenyl)methyl]-1,3-oxazol-4-yl]propan-1-ol
CID 115083926
2-(4-bromo-1-benzofuran-3-yl)propanoic acid
CID 117119174

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1-benzofuran-3-yl)propan-1-ol?
The IUPAC name of 2-(4-chloro-1-benzofuran-3-yl)propan-1-ol (CID 117119144) is 2-(4-chloro-1-benzofuran-3-yl)propan-1-ol.
What is the SMILES notation for 2-(4-chloro-1-benzofuran-3-yl)propan-1-ol?
The canonical SMILES for 2-(4-chloro-1-benzofuran-3-yl)propan-1-ol is CC(CO)c1coc2cccc(Cl)c12.
What is the InChIKey of 2-(4-chloro-1-benzofuran-3-yl)propan-1-ol?
The InChIKey is FEJPZQRNWCGANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO2/c1-7(5-13)8-6-14-10-4-2-3-9(12)11(8)10/h2-4,6-7,13H,5H2,1H3.
What are the key properties of 2-(4-chloro-1-benzofuran-3-yl)propan-1-ol?
2-(4-chloro-1-benzofuran-3-yl)propan-1-ol has a molecular weight of 210.66 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1-benzofuran-3-yl)propan-1-ol is sourced from PubChem (CID 117119144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).