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

C12H15NO4 — CID 27975

IUPAC(3-hydroxy-2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate
SMILESCNC(=O)Oc1cccc2c1OC(C)(C)C2O
InChIInChI=1S/C12H15NO4/c1-12(2)10(14)7-5-4-6-8(9(7)17-12)16-11(15)13-3/h4-6,10,14H,1-3H3,(H,13,15)
InChIKeyRHSUJRQZTQNSLL-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.61
Rot. Bonds1

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

(3-hydroxy-2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate (PubChem CID 27975) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is (3-hydroxy-2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate.

Molecular Properties

Compound Name(3-hydroxy-2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate
PubChem CID27975
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name(3-hydroxy-2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate
SMILESCNC(=O)Oc1cccc2c1OC(C)(C)C2O
InChIInChI=1S/C12H15NO4/c1-12(2)10(14)7-5-4-6-8(9(7)17-12)16-11(15)13-3/h4-6,10,14H,1-3H3,(H,13,15)
InChIKeyRHSUJRQZTQNSLL-UHFFFAOYSA-N
XLogP1.61
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate?
The IUPAC name of (3-hydroxy-2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate (CID 27975) is (3-hydroxy-2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate.
What is the SMILES notation for (3-hydroxy-2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate?
The canonical SMILES for (3-hydroxy-2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate is CNC(=O)Oc1cccc2c1OC(C)(C)C2O.
What is the InChIKey of (3-hydroxy-2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate?
The InChIKey is RHSUJRQZTQNSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-12(2)10(14)7-5-4-6-8(9(7)17-12)16-11(15)13-3/h4-6,10,14H,1-3H3,(H,13,15).
What are the key properties of (3-hydroxy-2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate?
(3-hydroxy-2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate has a molecular weight of 237.25 g/mol, XLogP of 1.61, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate is sourced from PubChem (CID 27975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).