1-(7-chloro-1-benzofuran-2-yl)-3-methylpentan-1-ol

C14H17ClO2 — CID 115837469

IUPAC1-(7-chloro-1-benzofuran-2-yl)-3-methylpentan-1-ol
SMILESCCC(C)CC(O)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C14H17ClO2/c1-3-9(2)7-12(16)13-8-10-5-4-6-11(15)14(10)17-13/h4-6,8-9,12,16H,3,7H2,1-2H3
InChIKeyOONNJMPXARPYHY-UHFFFAOYSA-N
MW252.74 g/mol
LogP4.56
Rot. Bonds4

About 1-(7-chloro-1-benzofuran-2-yl)-3-methylpentan-1-ol

1-(7-chloro-1-benzofuran-2-yl)-3-methylpentan-1-ol (PubChem CID 115837469) has the molecular formula C14H17ClO2 and a molecular weight of 252.74 g/mol. Its IUPAC name is 1-(7-chloro-1-benzofuran-2-yl)-3-methylpentan-1-ol.

Molecular Properties

Compound Name1-(7-chloro-1-benzofuran-2-yl)-3-methylpentan-1-ol
PubChem CID115837469
Molecular FormulaC14H17ClO2
Molecular Weight252.74 g/mol
Exact Mass252.09
IUPAC Name1-(7-chloro-1-benzofuran-2-yl)-3-methylpentan-1-ol
SMILESCCC(C)CC(O)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C14H17ClO2/c1-3-9(2)7-12(16)13-8-10-5-4-6-11(15)14(10)17-13/h4-6,8-9,12,16H,3,7H2,1-2H3
InChIKeyOONNJMPXARPYHY-UHFFFAOYSA-N
XLogP4.56
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-fluoro-1-benzofuran-2-yl)-3-methylpentan-1-ol
CID 115836909
1-(7-chloro-1-benzofuran-2-yl)-2-methylpropan-1-ol
CID 65426322
1-(7-chloro-1-benzofuran-2-yl)-3-(dimethylamino)propan-1-ol
CID 114727142
1-(7-chloro-1-benzofuran-2-yl)-4-ethoxybutan-1-ol
CID 105130466
1-(7-chloro-1-benzofuran-2-yl)-2-(3-methylphenyl)ethanol
CID 114726389
1-(5-chlorofuran-2-yl)-3-methylpentan-1-ol
CID 106693662
(7-chloro-1-benzofuran-2-yl)-(4-propan-2-ylcyclohexyl)methanol
CID 114726690
3,5,5-trimethyl-1-(7-methyl-1-benzofuran-2-yl)hexan-1-ol
CID 115836469
1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-3-methylbutan-1-amine
CID 114727840
4-(7-chloro-1-benzofuran-2-yl)-N-ethylpentan-2-amine
CID 114733575
1-(7-chloro-1-benzofuran-2-yl)-2-(2,5-dimethylphenyl)ethanol
CID 115837599
1-(7-propan-2-yl-1-benzofuran-2-yl)propan-1-ol
CID 65440315

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-1-benzofuran-2-yl)-3-methylpentan-1-ol?
The IUPAC name of 1-(7-chloro-1-benzofuran-2-yl)-3-methylpentan-1-ol (CID 115837469) is 1-(7-chloro-1-benzofuran-2-yl)-3-methylpentan-1-ol.
What is the SMILES notation for 1-(7-chloro-1-benzofuran-2-yl)-3-methylpentan-1-ol?
The canonical SMILES for 1-(7-chloro-1-benzofuran-2-yl)-3-methylpentan-1-ol is CCC(C)CC(O)c1cc2cccc(Cl)c2o1.
What is the InChIKey of 1-(7-chloro-1-benzofuran-2-yl)-3-methylpentan-1-ol?
The InChIKey is OONNJMPXARPYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO2/c1-3-9(2)7-12(16)13-8-10-5-4-6-11(15)14(10)17-13/h4-6,8-9,12,16H,3,7H2,1-2H3.
What are the key properties of 1-(7-chloro-1-benzofuran-2-yl)-3-methylpentan-1-ol?
1-(7-chloro-1-benzofuran-2-yl)-3-methylpentan-1-ol has a molecular weight of 252.74 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-1-benzofuran-2-yl)-3-methylpentan-1-ol is sourced from PubChem (CID 115837469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).