tert-butyl N-(4-formyl-2-hydroxy-6-methoxyphenyl)carbamate

C13H17NO5 — CID 84808060

IUPACtert-butyl N-(4-formyl-2-hydroxy-6-methoxyphenyl)carbamate
SMILESCOc1cc(C=O)cc(O)c1NC(=O)OC(C)(C)C
InChIInChI=1S/C13H17NO5/c1-13(2,3)19-12(17)14-11-9(16)5-8(7-15)6-10(11)18-4/h5-7,16H,1-4H3,(H,14,17)
InChIKeyGPVXXDISMMSDMM-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.56
Rot. Bonds3

About tert-butyl N-(4-formyl-2-hydroxy-6-methoxyphenyl)carbamate

tert-butyl N-(4-formyl-2-hydroxy-6-methoxyphenyl)carbamate (PubChem CID 84808060) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is tert-butyl N-(4-formyl-2-hydroxy-6-methoxyphenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-formyl-2-hydroxy-6-methoxyphenyl)carbamate
PubChem CID84808060
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Nametert-butyl N-(4-formyl-2-hydroxy-6-methoxyphenyl)carbamate
SMILESCOc1cc(C=O)cc(O)c1NC(=O)OC(C)(C)C
InChIInChI=1S/C13H17NO5/c1-13(2,3)19-12(17)14-11-9(16)5-8(7-15)6-10(11)18-4/h5-7,16H,1-4H3,(H,14,17)
InChIKeyGPVXXDISMMSDMM-UHFFFAOYSA-N
XLogP2.56
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(4-formyl-2,6-dimethoxyphenyl)carbamate
CID 84812097
tert-butyl N-(2,6-difluoro-4-formylphenyl)carbamate
CID 84805526
tert-butyl N-(5-formyl-3-methoxy-2-pyridinyl)carbamate
CID 118956788
tert-butyl N-(5-formyl-2-methoxyphenyl)carbamate;methanol
CID 144638830
tert-butyl N-(3-formyl-4-hydroxy-5-methoxyphenyl)carbamate
CID 84808067
tert-butyl N-(4-formyl-6-methoxy-2-pyridinyl)carbamate
CID 18506791
tert-butyl N-(5-hydroxy-2-methoxyphenyl)carbamate
CID 152536591
tert-butyl N-[2-(4-formyl-2-methoxy-6-methylphenoxy)ethyl]carbamate
CID 163564266
tert-butyl N-(6-formyl-5-methoxypyridazin-3-yl)carbamate
CID 164537142
tert-butyl N-(5-chloro-2-formyl-4-methoxyphenyl)carbamate
CID 84813438
tert-butyl N-[2-(4-formyl-2-iodo-6-methoxyphenoxy)ethyl]carbamate
CID 126622091
tert-butyl N-[4-formyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 22563949

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-formyl-2-hydroxy-6-methoxyphenyl)carbamate?
The IUPAC name of tert-butyl N-(4-formyl-2-hydroxy-6-methoxyphenyl)carbamate (CID 84808060) is tert-butyl N-(4-formyl-2-hydroxy-6-methoxyphenyl)carbamate.
What is the SMILES notation for tert-butyl N-(4-formyl-2-hydroxy-6-methoxyphenyl)carbamate?
The canonical SMILES for tert-butyl N-(4-formyl-2-hydroxy-6-methoxyphenyl)carbamate is COc1cc(C=O)cc(O)c1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(4-formyl-2-hydroxy-6-methoxyphenyl)carbamate?
The InChIKey is GPVXXDISMMSDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5/c1-13(2,3)19-12(17)14-11-9(16)5-8(7-15)6-10(11)18-4/h5-7,16H,1-4H3,(H,14,17).
What are the key properties of tert-butyl N-(4-formyl-2-hydroxy-6-methoxyphenyl)carbamate?
tert-butyl N-(4-formyl-2-hydroxy-6-methoxyphenyl)carbamate has a molecular weight of 267.28 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-formyl-2-hydroxy-6-methoxyphenyl)carbamate is sourced from PubChem (CID 84808060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).