cyclohexanol;(2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate

C18H27NO4 — CID 174624397

IUPACcyclohexanol;(2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate
SMILESCNC(=O)Oc1cccc2c1OC(C)(C)C2.OC1CCCCC1
InChIInChI=1S/C12H15NO3.C6H12O/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3;7-6-4-2-1-3-5-6/h4-6H,7H2,1-3H3,(H,13,14);6-7H,1-5H2
InChIKeyFIULWAMTRJCNAP-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.43
Rot. Bonds1

About cyclohexanol;(2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate

cyclohexanol;(2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate (PubChem CID 174624397) has the molecular formula C18H27NO4 and a molecular weight of 321.42 g/mol. Its IUPAC name is cyclohexanol;(2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate.

Molecular Properties

Compound Namecyclohexanol;(2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate
PubChem CID174624397
Molecular FormulaC18H27NO4
Molecular Weight321.42 g/mol
Exact Mass321.19
IUPAC Namecyclohexanol;(2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate
SMILESCNC(=O)Oc1cccc2c1OC(C)(C)C2.OC1CCCCC1
InChIInChI=1S/C12H15NO3.C6H12O/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3;7-6-4-2-1-3-5-6/h4-6H,7H2,1-3H3,(H,13,14);6-7H,1-5H2
InChIKeyFIULWAMTRJCNAP-UHFFFAOYSA-N
XLogP3.43
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2,2-dimethyl-3H-1-benzofuran-7-yl) N-[(4-fluorophenyl)methyl]carbamate
CID 171378487
[(3S)-3-hydroxy-2,2-dimethyl-3H-1-benzofuran-7-yl] N-methylcarbamate
CID 76965064
N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]cyclohexanecarboxamide
CID 39285980
(2,2-dimethyl-3H-1-benzofuran-7-yl) N-carbonochloridoyl-N-methylcarbamate
CID 13037458
(2,2-dimethyl-3H-1-benzofuran-7-yl) N-[(2,6-dimethylphenyl)sulfinylmethyl]carbamate
CID 53447273
(2,2-dimethyl-3H-1-benzofuran-7-yl) 4-bromobenzoate
CID 2402597
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 8551121
ethyl 2-[cyclohexyl-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanylamino]acetate
CID 3067975
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]cyclooctan-1-amine
CID 43095680
3-cyclohexyl-N-[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]but-2-ynyl]propanamide
CID 90578437
(2,2-dimethyl-3H-1-benzofuran-7-yl) 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 14130295
methyl (2S)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]propanoate
CID 94156900

Frequently Asked Questions

What is the IUPAC name of cyclohexanol;(2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate?
The IUPAC name of cyclohexanol;(2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate (CID 174624397) is cyclohexanol;(2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate.
What is the SMILES notation for cyclohexanol;(2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate?
The canonical SMILES for cyclohexanol;(2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate is CNC(=O)Oc1cccc2c1OC(C)(C)C2.OC1CCCCC1.
What is the InChIKey of cyclohexanol;(2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate?
The InChIKey is FIULWAMTRJCNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3.C6H12O/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3;7-6-4-2-1-3-5-6/h4-6H,7H2,1-3H3,(H,13,14);6-7H,1-5H2.
What are the key properties of cyclohexanol;(2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate?
cyclohexanol;(2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate has a molecular weight of 321.42 g/mol, XLogP of 3.43, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanol;(2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate is sourced from PubChem (CID 174624397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).