(5-bromo-3-methyl-1-benzofuran-2-yl)-cyclohexylmethanol

C16H19BrO2 — CID 66778775

IUPAC(5-bromo-3-methyl-1-benzofuran-2-yl)-cyclohexylmethanol
SMILESCc1c(C(O)C2CCCCC2)oc2ccc(Br)cc12
InChIInChI=1S/C16H19BrO2/c1-10-13-9-12(17)7-8-14(13)19-16(10)15(18)11-5-3-2-4-6-11/h7-9,11,15,18H,2-6H2,1H3
InChIKeyREQUGUUEJVHXSV-UHFFFAOYSA-N
MW323.23 g/mol
LogP5.12
Rot. Bonds2

About (5-bromo-3-methyl-1-benzofuran-2-yl)-cyclohexylmethanol

(5-bromo-3-methyl-1-benzofuran-2-yl)-cyclohexylmethanol (PubChem CID 66778775) has the molecular formula C16H19BrO2 and a molecular weight of 323.23 g/mol. Its IUPAC name is (5-bromo-3-methyl-1-benzofuran-2-yl)-cyclohexylmethanol.

Molecular Properties

Compound Name(5-bromo-3-methyl-1-benzofuran-2-yl)-cyclohexylmethanol
PubChem CID66778775
Molecular FormulaC16H19BrO2
Molecular Weight323.23 g/mol
Exact Mass322.06
IUPAC Name(5-bromo-3-methyl-1-benzofuran-2-yl)-cyclohexylmethanol
SMILESCc1c(C(O)C2CCCCC2)oc2ccc(Br)cc12
InChIInChI=1S/C16H19BrO2/c1-10-13-9-12(17)7-8-14(13)19-16(10)15(18)11-5-3-2-4-6-11/h7-9,11,15,18H,2-6H2,1H3
InChIKeyREQUGUUEJVHXSV-UHFFFAOYSA-N
XLogP5.12
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.23
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclohexyl-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanol
CID 66777937
cyclohexyl-(3-methyl-1-benzofuran-2-yl)methanol
CID 66778623
cyclohexyl-[3-methyl-5-(2-methylsulfanylethoxy)-1-benzofuran-2-yl]methanol
CID 66777070
(5-chloro-3-methyl-1-benzofuran-2-yl)-cyclohexylmethanamine
CID 63549324
(5-bromo-3-methyl-1-benzofuran-2-yl)-(4-chlorophenyl)methanol
CID 3088260
2-[chloro(cyclohexyl)methyl]-5-fluoro-3-methyl-1-benzofuran
CID 66777694
(5-bromofuran-2-yl)-(5-bromo-3-methyl-1-benzofuran-2-yl)methanamine
CID 104653863
4-bromo-2-[cyclohexyl(hydroxy)methyl]phenol
CID 54143973
(R)-(4-bromo-2-fluorophenyl)-cyclohexylmethanol
CID 97027176
(2-bromo-4-methylphenyl)-cycloheptylmethanol
CID 82928098
(5-bromo-3-methyl-1-benzofuran-2-yl)-(2,4-dimethylphenyl)methanamine
CID 43149723
(R)-(4-bromo-2-fluorophenyl)-cyclopentylmethanol
CID 96691275

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-methyl-1-benzofuran-2-yl)-cyclohexylmethanol?
The IUPAC name of (5-bromo-3-methyl-1-benzofuran-2-yl)-cyclohexylmethanol (CID 66778775) is (5-bromo-3-methyl-1-benzofuran-2-yl)-cyclohexylmethanol.
What is the SMILES notation for (5-bromo-3-methyl-1-benzofuran-2-yl)-cyclohexylmethanol?
The canonical SMILES for (5-bromo-3-methyl-1-benzofuran-2-yl)-cyclohexylmethanol is Cc1c(C(O)C2CCCCC2)oc2ccc(Br)cc12.
What is the InChIKey of (5-bromo-3-methyl-1-benzofuran-2-yl)-cyclohexylmethanol?
The InChIKey is REQUGUUEJVHXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrO2/c1-10-13-9-12(17)7-8-14(13)19-16(10)15(18)11-5-3-2-4-6-11/h7-9,11,15,18H,2-6H2,1H3.
What are the key properties of (5-bromo-3-methyl-1-benzofuran-2-yl)-cyclohexylmethanol?
(5-bromo-3-methyl-1-benzofuran-2-yl)-cyclohexylmethanol has a molecular weight of 323.23 g/mol, XLogP of 5.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-methyl-1-benzofuran-2-yl)-cyclohexylmethanol is sourced from PubChem (CID 66778775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).