1-(5-chloro-1-benzofuran-2-yl)-2-cycloheptylethanol

C17H21ClO2 — CID 115836585

IUPAC1-(5-chloro-1-benzofuran-2-yl)-2-cycloheptylethanol
SMILESOC(CC1CCCCCC1)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C17H21ClO2/c18-14-7-8-16-13(10-14)11-17(20-16)15(19)9-12-5-3-1-2-4-6-12/h7-8,10-12,15,19H,1-6,9H2
InChIKeyGCSBPGLJCWAHBF-UHFFFAOYSA-N
MW292.81 g/mol
LogP5.48
Rot. Bonds3

About 1-(5-chloro-1-benzofuran-2-yl)-2-cycloheptylethanol

1-(5-chloro-1-benzofuran-2-yl)-2-cycloheptylethanol (PubChem CID 115836585) has the molecular formula C17H21ClO2 and a molecular weight of 292.81 g/mol. Its IUPAC name is 1-(5-chloro-1-benzofuran-2-yl)-2-cycloheptylethanol.

Molecular Properties

Compound Name1-(5-chloro-1-benzofuran-2-yl)-2-cycloheptylethanol
PubChem CID115836585
Molecular FormulaC17H21ClO2
Molecular Weight292.81 g/mol
Exact Mass292.12
IUPAC Name1-(5-chloro-1-benzofuran-2-yl)-2-cycloheptylethanol
SMILESOC(CC1CCCCCC1)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C17H21ClO2/c18-14-7-8-16-13(10-14)11-17(20-16)15(19)9-12-5-3-1-2-4-6-12/h7-8,10-12,15,19H,1-6,9H2
InChIKeyGCSBPGLJCWAHBF-UHFFFAOYSA-N
XLogP5.48
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.81
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-1-benzofuran-2-yl)-3-cyclohexylpropan-1-amine
CID 105045741
(1S)-1-(5-chloro-1-benzofuran-2-yl)propan-1-ol
CID 96826863
1-(5-chloro-1-benzofuran-2-yl)-2-(4-chlorophenyl)ethanol
CID 114726287
1-(5-chloro-1-benzofuran-2-yl)-2-(thian-4-yl)ethanamine
CID 105185669
1-(5-chloro-1-benzofuran-2-yl)-2-propan-2-yloxyethanol
CID 105129479
1-(4-chloro-2-fluorophenyl)-2-cyclohexylethanol
CID 63083124
1-[5-(4-chlorophenyl)furan-2-yl]-2-cyclohexylethanol
CID 59949590
1-(2-bromo-5-chlorophenyl)-2-cyclohexylethanol
CID 66156275
(5-chloro-1-benzofuran-2-yl)-(4-ethylcyclohexyl)methanamine
CID 114729198
1-(5-chloro-1-benzofuran-2-yl)-2-cyclopropyl-2-methoxyethanol
CID 114727353
1-(5-chloro-1-benzofuran-2-yl)-2-(2,2,2-trifluoroethoxy)ethanol
CID 103217135
1-(5-chloro-1-benzofuran-2-yl)-2-cyclopropyl-N-propylpropan-1-amine
CID 105045970

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1-benzofuran-2-yl)-2-cycloheptylethanol?
The IUPAC name of 1-(5-chloro-1-benzofuran-2-yl)-2-cycloheptylethanol (CID 115836585) is 1-(5-chloro-1-benzofuran-2-yl)-2-cycloheptylethanol.
What is the SMILES notation for 1-(5-chloro-1-benzofuran-2-yl)-2-cycloheptylethanol?
The canonical SMILES for 1-(5-chloro-1-benzofuran-2-yl)-2-cycloheptylethanol is OC(CC1CCCCCC1)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of 1-(5-chloro-1-benzofuran-2-yl)-2-cycloheptylethanol?
The InChIKey is GCSBPGLJCWAHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClO2/c18-14-7-8-16-13(10-14)11-17(20-16)15(19)9-12-5-3-1-2-4-6-12/h7-8,10-12,15,19H,1-6,9H2.
What are the key properties of 1-(5-chloro-1-benzofuran-2-yl)-2-cycloheptylethanol?
1-(5-chloro-1-benzofuran-2-yl)-2-cycloheptylethanol has a molecular weight of 292.81 g/mol, XLogP of 5.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1-benzofuran-2-yl)-2-cycloheptylethanol is sourced from PubChem (CID 115836585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).