(2,2-dimethylcyclohexyl)-(7-fluoro-1-benzofuran-2-yl)methanol

C17H21FO2 — CID 107192972

IUPAC(2,2-dimethylcyclohexyl)-(7-fluoro-1-benzofuran-2-yl)methanol
SMILESCC1(C)CCCCC1C(O)c1cc2cccc(F)c2o1
InChIInChI=1S/C17H21FO2/c1-17(2)9-4-3-7-12(17)15(19)14-10-11-6-5-8-13(18)16(11)20-14/h5-6,8,10,12,15,19H,3-4,7,9H2,1-2H3
InChIKeyUDKFDKJMQMQAFW-UHFFFAOYSA-N
MW276.35 g/mol
LogP4.82
Rot. Bonds2

About (2,2-dimethylcyclohexyl)-(7-fluoro-1-benzofuran-2-yl)methanol

(2,2-dimethylcyclohexyl)-(7-fluoro-1-benzofuran-2-yl)methanol (PubChem CID 107192972) has the molecular formula C17H21FO2 and a molecular weight of 276.35 g/mol. Its IUPAC name is (2,2-dimethylcyclohexyl)-(7-fluoro-1-benzofuran-2-yl)methanol.

Molecular Properties

Compound Name(2,2-dimethylcyclohexyl)-(7-fluoro-1-benzofuran-2-yl)methanol
PubChem CID107192972
Molecular FormulaC17H21FO2
Molecular Weight276.35 g/mol
Exact Mass276.15
IUPAC Name(2,2-dimethylcyclohexyl)-(7-fluoro-1-benzofuran-2-yl)methanol
SMILESCC1(C)CCCCC1C(O)c1cc2cccc(F)c2o1
InChIInChI=1S/C17H21FO2/c1-17(2)9-4-3-7-12(17)15(19)14-10-11-6-5-8-13(18)16(11)20-14/h5-6,8,10,12,15,19H,3-4,7,9H2,1-2H3
InChIKeyUDKFDKJMQMQAFW-UHFFFAOYSA-N
XLogP4.82
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4,4-difluorocyclohexyl)-(7-fluoro-1-benzofuran-2-yl)methanol
CID 105130101
(7-fluoro-1-benzofuran-2-yl)-(3-methylcyclohexyl)methanol
CID 114724076
[1-(dimethylamino)cyclopentyl]-(7-fluoro-1-benzofuran-2-yl)methanol
CID 114726886
[(7-chloro-1-benzofuran-2-yl)-(2,2-dimethylcyclohexyl)methyl]hydrazine
CID 107194873
2,3-dihydro-1H-inden-1-yl-(7-fluoro-1-benzofuran-2-yl)methanol
CID 114726719
(2,2-dimethylcyclohexyl)-(furan-2-yl)methanol
CID 107192265
(2,2-dimethylcyclohexyl)-naphthalen-2-ylmethanol
CID 107192209
(2,2-dimethylcyclopentyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 107192952
(2,2-dimethylcyclopentyl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 107191137
(2,2-dimethylcyclopentyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 107187565
2-cyclopropyl-1-(7-fluoro-1-benzofuran-2-yl)ethanol
CID 114727065
(2,2-dimethylcyclopentyl)-(3-fluorophenyl)methanol
CID 107191966

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylcyclohexyl)-(7-fluoro-1-benzofuran-2-yl)methanol?
The IUPAC name of (2,2-dimethylcyclohexyl)-(7-fluoro-1-benzofuran-2-yl)methanol (CID 107192972) is (2,2-dimethylcyclohexyl)-(7-fluoro-1-benzofuran-2-yl)methanol.
What is the SMILES notation for (2,2-dimethylcyclohexyl)-(7-fluoro-1-benzofuran-2-yl)methanol?
The canonical SMILES for (2,2-dimethylcyclohexyl)-(7-fluoro-1-benzofuran-2-yl)methanol is CC1(C)CCCCC1C(O)c1cc2cccc(F)c2o1.
What is the InChIKey of (2,2-dimethylcyclohexyl)-(7-fluoro-1-benzofuran-2-yl)methanol?
The InChIKey is UDKFDKJMQMQAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FO2/c1-17(2)9-4-3-7-12(17)15(19)14-10-11-6-5-8-13(18)16(11)20-14/h5-6,8,10,12,15,19H,3-4,7,9H2,1-2H3.
What are the key properties of (2,2-dimethylcyclohexyl)-(7-fluoro-1-benzofuran-2-yl)methanol?
(2,2-dimethylcyclohexyl)-(7-fluoro-1-benzofuran-2-yl)methanol has a molecular weight of 276.35 g/mol, XLogP of 4.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylcyclohexyl)-(7-fluoro-1-benzofuran-2-yl)methanol is sourced from PubChem (CID 107192972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).