cyclohexyl-(3-methyl-1-benzofuran-2-yl)methanol

C16H20O2 — CID 66778623

IUPACcyclohexyl-(3-methyl-1-benzofuran-2-yl)methanol
SMILESCc1c(C(O)C2CCCCC2)oc2ccccc12
InChIInChI=1S/C16H20O2/c1-11-13-9-5-6-10-14(13)18-16(11)15(17)12-7-3-2-4-8-12/h5-6,9-10,12,15,17H,2-4,7-8H2,1H3
InChIKeyJNPZVOJMRXNXFU-UHFFFAOYSA-N
MW244.33 g/mol
LogP4.35
Rot. Bonds2

About cyclohexyl-(3-methyl-1-benzofuran-2-yl)methanol

cyclohexyl-(3-methyl-1-benzofuran-2-yl)methanol (PubChem CID 66778623) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is cyclohexyl-(3-methyl-1-benzofuran-2-yl)methanol.

Molecular Properties

Compound Namecyclohexyl-(3-methyl-1-benzofuran-2-yl)methanol
PubChem CID66778623
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Namecyclohexyl-(3-methyl-1-benzofuran-2-yl)methanol
SMILESCc1c(C(O)C2CCCCC2)oc2ccccc12
InChIInChI=1S/C16H20O2/c1-11-13-9-5-6-10-14(13)18-16(11)15(17)12-7-3-2-4-8-12/h5-6,9-10,12,15,17H,2-4,7-8H2,1H3
InChIKeyJNPZVOJMRXNXFU-UHFFFAOYSA-N
XLogP4.35
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 54.35
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
(5-bromo-3-methyl-1-benzofuran-2-yl)-cyclohexylmethanol
CID 66778775
cyclohexyl-[3-methyl-5-(2-methylsulfanylethoxy)-1-benzofuran-2-yl]methanol
CID 66777070
N-(dicyclopropylmethyl)-1-(3-methyl-1-benzofuran-2-yl)ethanamine
CID 43768499
1-benzofuran-2-yl(cyclohexyl)methanol
CID 63090422
4-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]cyclohexan-1-amine
CID 43761485
(R)-cyclopentyl-(2-methylphenyl)methanol
CID 93312335
2,6-dimethyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]piperidin-1-amine
CID 83009316
N-(2-amino-1-cyclohexylethyl)-3-methyl-1-benzofuran-2-carboxamide;hydrochloride
CID 119592038
(5-chloro-3-methyl-1-benzofuran-2-yl)-cyclohexylmethanamine
CID 63549324
(1S)-N-[2-(1,3-dioxolan-2-yl)ethyl]-1-(3-methyl-1-benzofuran-2-yl)ethanamine
CID 124571843
cyclohexyl-(2-methyl-1-benzothiophen-3-yl)methanol
CID 66777138

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(3-methyl-1-benzofuran-2-yl)methanol?
The IUPAC name of cyclohexyl-(3-methyl-1-benzofuran-2-yl)methanol (CID 66778623) is cyclohexyl-(3-methyl-1-benzofuran-2-yl)methanol.
What is the SMILES notation for cyclohexyl-(3-methyl-1-benzofuran-2-yl)methanol?
The canonical SMILES for cyclohexyl-(3-methyl-1-benzofuran-2-yl)methanol is Cc1c(C(O)C2CCCCC2)oc2ccccc12.
What is the InChIKey of cyclohexyl-(3-methyl-1-benzofuran-2-yl)methanol?
The InChIKey is JNPZVOJMRXNXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2/c1-11-13-9-5-6-10-14(13)18-16(11)15(17)12-7-3-2-4-8-12/h5-6,9-10,12,15,17H,2-4,7-8H2,1H3.
What are the key properties of cyclohexyl-(3-methyl-1-benzofuran-2-yl)methanol?
cyclohexyl-(3-methyl-1-benzofuran-2-yl)methanol has a molecular weight of 244.33 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(3-methyl-1-benzofuran-2-yl)methanol is sourced from PubChem (CID 66778623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).