tert-butyl N-[2-(2-hydroxyphenyl)ethenyl]carbamate

C13H17NO3 — CID 175281086

IUPACtert-butyl N-[2-(2-hydroxyphenyl)ethenyl]carbamate
SMILESCC(C)(C)OC(=O)NC=Cc1ccccc1O
InChIInChI=1S/C13H17NO3/c1-13(2,3)17-12(16)14-9-8-10-6-4-5-7-11(10)15/h4-9,15H,1-3H3,(H,14,16)
InChIKeySIKZNPNFPIJCBA-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.89
Rot. Bonds2

About tert-butyl N-[2-(2-hydroxyphenyl)ethenyl]carbamate

tert-butyl N-[2-(2-hydroxyphenyl)ethenyl]carbamate (PubChem CID 175281086) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is tert-butyl N-[2-(2-hydroxyphenyl)ethenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-hydroxyphenyl)ethenyl]carbamate
PubChem CID175281086
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Nametert-butyl N-[2-(2-hydroxyphenyl)ethenyl]carbamate
SMILESCC(C)(C)OC(=O)NC=Cc1ccccc1O
InChIInChI=1S/C13H17NO3/c1-13(2,3)17-12(16)14-9-8-10-6-4-5-7-11(10)15/h4-9,15H,1-3H3,(H,14,16)
InChIKeySIKZNPNFPIJCBA-UHFFFAOYSA-N
XLogP2.89
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[[1,4-dihydroxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethenyl]naphthalen-2-yl]methyl]carbamate
CID 91192198
tert-butyl N-[(Z)-3-phenylprop-1-enyl]carbamate
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tert-butyl N-(2-hydroxyphenyl)carbamate
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tert-butyl N-[(E)-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]ethenyl]carbamate
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tert-butyl (Z)-3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoate
CID 164678963
tert-butyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoate
CID 101134565
tert-butyl N-[1-(2-hydroxyphenyl)-2-oxoethyl]carbamate
CID 84729025
tert-butyl N-[2-(2,2-difluoroethenyl)phenyl]carbamate
CID 169494610
CID 71111006
CID 71111006
tert-butyl N-[(1E)-penta-1,3-dienyl]carbamate
CID 149434182
methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoate
CID 15384695
tert-butyl N-[(E)-3-indol-1-ylprop-1-enyl]carbamate
CID 132507563

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-hydroxyphenyl)ethenyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-hydroxyphenyl)ethenyl]carbamate (CID 175281086) is tert-butyl N-[2-(2-hydroxyphenyl)ethenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-hydroxyphenyl)ethenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-hydroxyphenyl)ethenyl]carbamate is CC(C)(C)OC(=O)NC=Cc1ccccc1O.
What is the InChIKey of tert-butyl N-[2-(2-hydroxyphenyl)ethenyl]carbamate?
The InChIKey is SIKZNPNFPIJCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-13(2,3)17-12(16)14-9-8-10-6-4-5-7-11(10)15/h4-9,15H,1-3H3,(H,14,16).
What are the key properties of tert-butyl N-[2-(2-hydroxyphenyl)ethenyl]carbamate?
tert-butyl N-[2-(2-hydroxyphenyl)ethenyl]carbamate has a molecular weight of 235.28 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-hydroxyphenyl)ethenyl]carbamate is sourced from PubChem (CID 175281086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).