tert-butyl N-[2-hydroxy-2-(4-hydroxy-2-methylphenyl)ethyl]carbamate

C14H21NO4 — CID 77221627

IUPACtert-butyl N-[2-hydroxy-2-(4-hydroxy-2-methylphenyl)ethyl]carbamate
SMILESCc1cc(O)ccc1C(O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C14H21NO4/c1-9-7-10(16)5-6-11(9)12(17)8-15-13(18)19-14(2,3)4/h5-7,12,16-17H,8H2,1-4H3,(H,15,18)
InChIKeyJRMUBJHCRHWCCQ-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.26
Rot. Bonds3

About tert-butyl N-[2-hydroxy-2-(4-hydroxy-2-methylphenyl)ethyl]carbamate

tert-butyl N-[2-hydroxy-2-(4-hydroxy-2-methylphenyl)ethyl]carbamate (PubChem CID 77221627) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is tert-butyl N-[2-hydroxy-2-(4-hydroxy-2-methylphenyl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-hydroxy-2-(4-hydroxy-2-methylphenyl)ethyl]carbamate
PubChem CID77221627
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Nametert-butyl N-[2-hydroxy-2-(4-hydroxy-2-methylphenyl)ethyl]carbamate
SMILESCc1cc(O)ccc1C(O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C14H21NO4/c1-9-7-10(16)5-6-11(9)12(17)8-15-13(18)19-14(2,3)4/h5-7,12,16-17H,8H2,1-4H3,(H,15,18)
InChIKeyJRMUBJHCRHWCCQ-UHFFFAOYSA-N
XLogP2.26
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2,3-dihydroxy-3-(4-hydroxy-2-methylphenyl)propyl]carbamate
CID 170831737
tert-butyl N-[3,4-dihydroxy-4-(4-hydroxy-2-methylphenyl)butyl]carbamate
CID 171884463
tert-butyl 3-(5-hydroxy-2-methylphenyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 118277046
tert-butyl N-[(4-hydroxy-2-methylphenyl)methyl]carbamate
CID 136664415
3-(5-hydroxy-2-methylphenyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 118276889
tert-butyl N-[3-(4,5-diamino-2-methylphenyl)-2,3-dihydroxypropyl]carbamate
CID 170832087
tert-butyl N-[2-(3,5-dibromo-4-hydroxyphenyl)-2-hydroxyethyl]carbamate
CID 71665188
tert-butyl N-[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]carbamate
CID 116861139
tert-butyl N-[3-(2,5-dimethylphenyl)-2,3-dihydroxypropyl]carbamate
CID 170831671
tert-butyl N-[2-(2,3-dichlorophenyl)-2-hydroxyethyl]carbamate
CID 66635361
tert-butyl N-[3-(4-cyano-2-methylphenyl)-2,3-dihydroxypropyl]carbamate
CID 170832172
tert-butyl N-[(2S)-2-(4-hydroxyphenyl)propyl]carbamate
CID 129383215

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-hydroxy-2-(4-hydroxy-2-methylphenyl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-hydroxy-2-(4-hydroxy-2-methylphenyl)ethyl]carbamate (CID 77221627) is tert-butyl N-[2-hydroxy-2-(4-hydroxy-2-methylphenyl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-hydroxy-2-(4-hydroxy-2-methylphenyl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-hydroxy-2-(4-hydroxy-2-methylphenyl)ethyl]carbamate is Cc1cc(O)ccc1C(O)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-hydroxy-2-(4-hydroxy-2-methylphenyl)ethyl]carbamate?
The InChIKey is JRMUBJHCRHWCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-9-7-10(16)5-6-11(9)12(17)8-15-13(18)19-14(2,3)4/h5-7,12,16-17H,8H2,1-4H3,(H,15,18).
What are the key properties of tert-butyl N-[2-hydroxy-2-(4-hydroxy-2-methylphenyl)ethyl]carbamate?
tert-butyl N-[2-hydroxy-2-(4-hydroxy-2-methylphenyl)ethyl]carbamate has a molecular weight of 267.32 g/mol, XLogP of 2.26, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-hydroxy-2-(4-hydroxy-2-methylphenyl)ethyl]carbamate is sourced from PubChem (CID 77221627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).