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

C14H17FO2 — CID 115836909

IUPAC1-(7-fluoro-1-benzofuran-2-yl)-3-methylpentan-1-ol
SMILESCCC(C)CC(O)c1cc2cccc(F)c2o1
InChIInChI=1S/C14H17FO2/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
InChIKeyULPNMLXCPUPUGW-UHFFFAOYSA-N
MW236.29 g/mol
LogP4.04
Rot. Bonds4

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

1-(7-fluoro-1-benzofuran-2-yl)-3-methylpentan-1-ol (PubChem CID 115836909) has the molecular formula C14H17FO2 and a molecular weight of 236.29 g/mol. Its IUPAC name is 1-(7-fluoro-1-benzofuran-2-yl)-3-methylpentan-1-ol.

Molecular Properties

Compound Name1-(7-fluoro-1-benzofuran-2-yl)-3-methylpentan-1-ol
PubChem CID115836909
Molecular FormulaC14H17FO2
Molecular Weight236.29 g/mol
Exact Mass236.12
IUPAC Name1-(7-fluoro-1-benzofuran-2-yl)-3-methylpentan-1-ol
SMILESCCC(C)CC(O)c1cc2cccc(F)c2o1
InChIInChI=1S/C14H17FO2/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
InChIKeyULPNMLXCPUPUGW-UHFFFAOYSA-N
XLogP4.04
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-chloro-1-benzofuran-2-yl)-3-methylpentan-1-ol
CID 115837469
1-(7-fluoro-1-benzofuran-2-yl)pentan-1-ol
CID 114723732
2-ethylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethanol
CID 114726596
7-fluoro-2-propan-2-yl-1-benzofuran
CID 88991552
1-(7-fluoro-1-benzofuran-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 105130050
2-cyclopropyl-1-(7-fluoro-1-benzofuran-2-yl)ethanol
CID 114727065
1-(7-fluoro-1-benzofuran-2-yl)-N-methylpropan-1-amine
CID 65439621
3,5,5-trimethyl-1-(7-methyl-1-benzofuran-2-yl)hexan-1-ol
CID 115836469
1-(7-propan-2-yl-1-benzofuran-2-yl)propan-1-ol
CID 65440315
(1R)-1-(7-fluoro-1-benzofuran-2-yl)butan-1-amine
CID 165455144
1-(7-bromo-1-benzofuran-2-yl)-3-ethylpentan-1-ol
CID 105122499
(7-fluoro-1-benzofuran-2-yl)-(furan-2-yl)methanol
CID 114723330

Frequently Asked Questions

What is the IUPAC name of 1-(7-fluoro-1-benzofuran-2-yl)-3-methylpentan-1-ol?
The IUPAC name of 1-(7-fluoro-1-benzofuran-2-yl)-3-methylpentan-1-ol (CID 115836909) is 1-(7-fluoro-1-benzofuran-2-yl)-3-methylpentan-1-ol.
What is the SMILES notation for 1-(7-fluoro-1-benzofuran-2-yl)-3-methylpentan-1-ol?
The canonical SMILES for 1-(7-fluoro-1-benzofuran-2-yl)-3-methylpentan-1-ol is CCC(C)CC(O)c1cc2cccc(F)c2o1.
What is the InChIKey of 1-(7-fluoro-1-benzofuran-2-yl)-3-methylpentan-1-ol?
The InChIKey is ULPNMLXCPUPUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO2/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-fluoro-1-benzofuran-2-yl)-3-methylpentan-1-ol?
1-(7-fluoro-1-benzofuran-2-yl)-3-methylpentan-1-ol has a molecular weight of 236.29 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-fluoro-1-benzofuran-2-yl)-3-methylpentan-1-ol is sourced from PubChem (CID 115836909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).