1-(5-chlorobenzo[g][1]benzofuran-2-yl)butan-1-ol

C16H15ClO2 — CID 65441078

IUPAC1-(5-chlorobenzo[g][1]benzofuran-2-yl)butan-1-ol
SMILESCCCC(O)c1cc2cc(Cl)c3ccccc3c2o1
InChIInChI=1S/C16H15ClO2/c1-2-5-14(18)15-9-10-8-13(17)11-6-3-4-7-12(11)16(10)19-15/h3-4,6-9,14,18H,2,5H2,1H3
InChIKeySHFTYNUQDXRLBS-UHFFFAOYSA-N
MW274.75 g/mol
LogP5.07
Rot. Bonds3

About 1-(5-chlorobenzo[g][1]benzofuran-2-yl)butan-1-ol

1-(5-chlorobenzo[g][1]benzofuran-2-yl)butan-1-ol (PubChem CID 65441078) has the molecular formula C16H15ClO2 and a molecular weight of 274.75 g/mol. Its IUPAC name is 1-(5-chlorobenzo[g][1]benzofuran-2-yl)butan-1-ol.

Molecular Properties

Compound Name1-(5-chlorobenzo[g][1]benzofuran-2-yl)butan-1-ol
PubChem CID65441078
Molecular FormulaC16H15ClO2
Molecular Weight274.75 g/mol
Exact Mass274.08
IUPAC Name1-(5-chlorobenzo[g][1]benzofuran-2-yl)butan-1-ol
SMILESCCCC(O)c1cc2cc(Cl)c3ccccc3c2o1
InChIInChI=1S/C16H15ClO2/c1-2-5-14(18)15-9-10-8-13(17)11-6-3-4-7-12(11)16(10)19-15/h3-4,6-9,14,18H,2,5H2,1H3
InChIKeySHFTYNUQDXRLBS-UHFFFAOYSA-N
XLogP5.07
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.75
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chlorobenzo[g][1]benzofuran-2-yl)-2,2-dimethylpropan-1-ol
CID 65441077
1-(4,7-dichloro-1-benzofuran-2-yl)propan-1-ol
CID 65440506
1-(7-chloro-1-benzofuran-2-yl)-4-ethoxybutan-1-ol
CID 105130466
1-(7-chloro-1-benzofuran-2-yl)-3-(dimethylamino)propan-1-ol
CID 114727142
1-(7-fluoro-1-benzofuran-2-yl)pentan-1-ol
CID 114723732
1-(5-ethyl-1-benzofuran-2-yl)butan-1-ol
CID 65439756
1-(1-benzofuran-2-yl)heptan-1-ol
CID 63089894
1-(7-chloro-1-benzofuran-2-yl)-3-methylpentan-1-ol
CID 115837469
1-(9-bromobenzo[f][1]benzofuran-2-yl)butan-1-amine
CID 65440802
1-(7-chloro-4-methyl-1-benzofuran-2-yl)propan-1-ol
CID 65439178
1-chrysen-2-ylbutan-1-ol
CID 88920736
1-(7-chloro-1-benzofuran-2-yl)-N-methylbutan-1-amine
CID 65440764

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorobenzo[g][1]benzofuran-2-yl)butan-1-ol?
The IUPAC name of 1-(5-chlorobenzo[g][1]benzofuran-2-yl)butan-1-ol (CID 65441078) is 1-(5-chlorobenzo[g][1]benzofuran-2-yl)butan-1-ol.
What is the SMILES notation for 1-(5-chlorobenzo[g][1]benzofuran-2-yl)butan-1-ol?
The canonical SMILES for 1-(5-chlorobenzo[g][1]benzofuran-2-yl)butan-1-ol is CCCC(O)c1cc2cc(Cl)c3ccccc3c2o1.
What is the InChIKey of 1-(5-chlorobenzo[g][1]benzofuran-2-yl)butan-1-ol?
The InChIKey is SHFTYNUQDXRLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO2/c1-2-5-14(18)15-9-10-8-13(17)11-6-3-4-7-12(11)16(10)19-15/h3-4,6-9,14,18H,2,5H2,1H3.
What are the key properties of 1-(5-chlorobenzo[g][1]benzofuran-2-yl)butan-1-ol?
1-(5-chlorobenzo[g][1]benzofuran-2-yl)butan-1-ol has a molecular weight of 274.75 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorobenzo[g][1]benzofuran-2-yl)butan-1-ol is sourced from PubChem (CID 65441078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).