tert-butyl N-[4-(hydroxymethyl)-2-methoxyphenyl]carbamate

C13H19NO4 — CID 86720230

IUPACtert-butyl N-[4-(hydroxymethyl)-2-methoxyphenyl]carbamate
SMILESCOc1cc(CO)ccc1NC(=O)OC(C)(C)C
InChIInChI=1S/C13H19NO4/c1-13(2,3)18-12(16)14-10-6-5-9(8-15)7-11(10)17-4/h5-7,15H,8H2,1-4H3,(H,14,16)
InChIKeyLHAVNJFXFCOUED-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.53
Rot. Bonds3

About tert-butyl N-[4-(hydroxymethyl)-2-methoxyphenyl]carbamate

tert-butyl N-[4-(hydroxymethyl)-2-methoxyphenyl]carbamate (PubChem CID 86720230) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is tert-butyl N-[4-(hydroxymethyl)-2-methoxyphenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(hydroxymethyl)-2-methoxyphenyl]carbamate
PubChem CID86720230
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Nametert-butyl N-[4-(hydroxymethyl)-2-methoxyphenyl]carbamate
SMILESCOc1cc(CO)ccc1NC(=O)OC(C)(C)C
InChIInChI=1S/C13H19NO4/c1-13(2,3)18-12(16)14-10-6-5-9(8-15)7-11(10)17-4/h5-7,15H,8H2,1-4H3,(H,14,16)
InChIKeyLHAVNJFXFCOUED-UHFFFAOYSA-N
XLogP2.53
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[5-(hydroxymethyl)-2-methoxyphenyl]carbamate
CID 117236640
tert-butyl N-[4-(chloromethyl)-2-methoxyphenyl]carbamate
CID 117236540
tert-butyl N-[4-(3-hydroxypropyl)-2-methoxyphenyl]carbamate
CID 117451587
tert-butyl N-[2-methoxy-4-(2-oxopentyl)phenyl]carbamate
CID 70242201
tert-butyl N-[2-bromo-5-(hydroxymethyl)phenyl]carbamate
CID 117236636
2-[4-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetic acid
CID 117451386
tert-butyl N-[5-(2-aminoethyl)-2-methoxyphenyl]carbamate
CID 117420116
tert-butyl N-[4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxyphenyl]carbamate
CID 117477647
tert-butyl N-[5-(cyanomethyl)-2-methoxyphenyl]carbamate
CID 117410427
2-amino-2-[3-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetic acid
CID 117477516
tert-butyl N-[2-methoxy-5-(3-oxopropyl)phenyl]carbamate
CID 117447984
tert-butyl N-[4-[1-(aminomethyl)cyclopropyl]-2-methoxyphenyl]carbamate
CID 117472268

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(hydroxymethyl)-2-methoxyphenyl]carbamate?
The IUPAC name of tert-butyl N-[4-(hydroxymethyl)-2-methoxyphenyl]carbamate (CID 86720230) is tert-butyl N-[4-(hydroxymethyl)-2-methoxyphenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(hydroxymethyl)-2-methoxyphenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(hydroxymethyl)-2-methoxyphenyl]carbamate is COc1cc(CO)ccc1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[4-(hydroxymethyl)-2-methoxyphenyl]carbamate?
The InChIKey is LHAVNJFXFCOUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-13(2,3)18-12(16)14-10-6-5-9(8-15)7-11(10)17-4/h5-7,15H,8H2,1-4H3,(H,14,16).
What are the key properties of tert-butyl N-[4-(hydroxymethyl)-2-methoxyphenyl]carbamate?
tert-butyl N-[4-(hydroxymethyl)-2-methoxyphenyl]carbamate has a molecular weight of 253.30 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(hydroxymethyl)-2-methoxyphenyl]carbamate is sourced from PubChem (CID 86720230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).