(7-fluoro-1-benzofuran-2-yl)-(3-methylcyclohexyl)methanol

C16H19FO2 — CID 114724076

IUPAC(7-fluoro-1-benzofuran-2-yl)-(3-methylcyclohexyl)methanol
SMILESCC1CCCC(C(O)c2cc3cccc(F)c3o2)C1
InChIInChI=1S/C16H19FO2/c1-10-4-2-5-11(8-10)15(18)14-9-12-6-3-7-13(17)16(12)19-14/h3,6-7,9-11,15,18H,2,4-5,8H2,1H3
InChIKeyKTCMTQOOKAAGFB-UHFFFAOYSA-N
MW262.32 g/mol
LogP4.43
Rot. Bonds2

About (7-fluoro-1-benzofuran-2-yl)-(3-methylcyclohexyl)methanol

(7-fluoro-1-benzofuran-2-yl)-(3-methylcyclohexyl)methanol (PubChem CID 114724076) has the molecular formula C16H19FO2 and a molecular weight of 262.32 g/mol. Its IUPAC name is (7-fluoro-1-benzofuran-2-yl)-(3-methylcyclohexyl)methanol.

Molecular Properties

Compound Name(7-fluoro-1-benzofuran-2-yl)-(3-methylcyclohexyl)methanol
PubChem CID114724076
Molecular FormulaC16H19FO2
Molecular Weight262.32 g/mol
Exact Mass262.14
IUPAC Name(7-fluoro-1-benzofuran-2-yl)-(3-methylcyclohexyl)methanol
SMILESCC1CCCC(C(O)c2cc3cccc(F)c3o2)C1
InChIInChI=1S/C16H19FO2/c1-10-4-2-5-11(8-10)15(18)14-9-12-6-3-7-13(17)16(12)19-14/h3,6-7,9-11,15,18H,2,4-5,8H2,1H3
InChIKeyKTCMTQOOKAAGFB-UHFFFAOYSA-N
XLogP4.43
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(7-fluoro-1-benzofuran-2-yl)-(3-methylcyclohexyl)methyl]ethanamine
CID 114728259
(5-fluoro-1-benzofuran-2-yl)-(3-methylcyclohexyl)methanol
CID 114724078
(4,4-difluorocyclohexyl)-(7-fluoro-1-benzofuran-2-yl)methanol
CID 105130101
(2,2-dimethylcyclohexyl)-(7-fluoro-1-benzofuran-2-yl)methanol
CID 107192972
2-cyclopropyl-1-(7-fluoro-1-benzofuran-2-yl)ethanol
CID 114727065
7-fluoro-2-propan-2-yl-1-benzofuran
CID 88991552
(2-bromo-6-fluorophenyl)-(3-methylcyclohexyl)methanol
CID 114885757
(7-chloro-1-benzofuran-2-yl)-cyclopentylmethanol
CID 114723689
[cyclopentyl-(7-fluoro-1-benzofuran-2-yl)methyl]hydrazine
CID 105204500
(3-methylcyclohexyl)-naphthalen-1-ylmethanol
CID 63411173
(7-fluoro-1-benzofuran-2-yl)-(1-methoxy-3-methylcyclohexyl)methanamine
CID 114731470
2,3-dihydro-1H-inden-1-yl-(7-fluoro-1-benzofuran-2-yl)methanol
CID 114726719

Frequently Asked Questions

What is the IUPAC name of (7-fluoro-1-benzofuran-2-yl)-(3-methylcyclohexyl)methanol?
The IUPAC name of (7-fluoro-1-benzofuran-2-yl)-(3-methylcyclohexyl)methanol (CID 114724076) is (7-fluoro-1-benzofuran-2-yl)-(3-methylcyclohexyl)methanol.
What is the SMILES notation for (7-fluoro-1-benzofuran-2-yl)-(3-methylcyclohexyl)methanol?
The canonical SMILES for (7-fluoro-1-benzofuran-2-yl)-(3-methylcyclohexyl)methanol is CC1CCCC(C(O)c2cc3cccc(F)c3o2)C1.
What is the InChIKey of (7-fluoro-1-benzofuran-2-yl)-(3-methylcyclohexyl)methanol?
The InChIKey is KTCMTQOOKAAGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FO2/c1-10-4-2-5-11(8-10)15(18)14-9-12-6-3-7-13(17)16(12)19-14/h3,6-7,9-11,15,18H,2,4-5,8H2,1H3.
What are the key properties of (7-fluoro-1-benzofuran-2-yl)-(3-methylcyclohexyl)methanol?
(7-fluoro-1-benzofuran-2-yl)-(3-methylcyclohexyl)methanol has a molecular weight of 262.32 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-1-benzofuran-2-yl)-(3-methylcyclohexyl)methanol is sourced from PubChem (CID 114724076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).