tert-butyl N-[3-(5-chloro-2-hydroxyphenyl)prop-2-enyl]carbamate

C14H18ClNO3 — CID 169467081

IUPACtert-butyl N-[3-(5-chloro-2-hydroxyphenyl)prop-2-enyl]carbamate
SMILESCC(C)(C)OC(=O)NCC=Cc1cc(Cl)ccc1O
InChIInChI=1S/C14H18ClNO3/c1-14(2,3)19-13(18)16-8-4-5-10-9-11(15)6-7-12(10)17/h4-7,9,17H,8H2,1-3H3,(H,16,18)
InChIKeyNGQWECRQWVESPG-UHFFFAOYSA-N
MW283.75 g/mol
LogP3.58
Rot. Bonds3

About tert-butyl N-[3-(5-chloro-2-hydroxyphenyl)prop-2-enyl]carbamate

tert-butyl N-[3-(5-chloro-2-hydroxyphenyl)prop-2-enyl]carbamate (PubChem CID 169467081) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is tert-butyl N-[3-(5-chloro-2-hydroxyphenyl)prop-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(5-chloro-2-hydroxyphenyl)prop-2-enyl]carbamate
PubChem CID169467081
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Nametert-butyl N-[3-(5-chloro-2-hydroxyphenyl)prop-2-enyl]carbamate
SMILESCC(C)(C)OC(=O)NCC=Cc1cc(Cl)ccc1O
InChIInChI=1S/C14H18ClNO3/c1-14(2,3)19-13(18)16-8-4-5-10-9-11(15)6-7-12(10)17/h4-7,9,17H,8H2,1-3H3,(H,16,18)
InChIKeyNGQWECRQWVESPG-UHFFFAOYSA-N
XLogP3.58
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[3-(4-chloro-2-hydroxyphenyl)prop-2-enyl]carbamate
CID 169467082
tert-butyl N-[3-(4-chloro-2-fluorophenyl)prop-2-enyl]carbamate
CID 169467051
tert-butyl N-[3-(5-amino-2-hydroxyphenyl)prop-2-enyl]carbamate
CID 169467247
tert-butyl N-[3-(5-chloro-2-cyanophenyl)prop-2-enyl]carbamate
CID 169467512
methyl 4-hydroxy-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]benzoate
CID 169468079
tert-butyl N-[3-(2,3,4-trihydroxyphenyl)prop-2-enyl]carbamate
CID 169468710
tert-butyl N-[3-(2-chloro-5-hydroxyphenyl)prop-2-enyl]carbamate
CID 169467073
tert-butyl N-[3-(5-bromo-2-fluorophenyl)prop-2-enyl]carbamate
CID 169468547
methyl 3-[3-(5-chloro-2-hydroxyphenyl)prop-2-enylamino]propanoate
CID 118875988
tert-butyl N-[4-(5-chloro-2-methylphenyl)but-3-enyl]carbamate
CID 170489959
tert-butyl N-[3-(5-amino-2-chlorophenyl)prop-2-enyl]carbamate
CID 169467171
tert-butyl N-[4-(5-chloro-2-methoxyphenyl)but-3-enyl]carbamate
CID 170490325

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(5-chloro-2-hydroxyphenyl)prop-2-enyl]carbamate?
The IUPAC name of tert-butyl N-[3-(5-chloro-2-hydroxyphenyl)prop-2-enyl]carbamate (CID 169467081) is tert-butyl N-[3-(5-chloro-2-hydroxyphenyl)prop-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(5-chloro-2-hydroxyphenyl)prop-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(5-chloro-2-hydroxyphenyl)prop-2-enyl]carbamate is CC(C)(C)OC(=O)NCC=Cc1cc(Cl)ccc1O.
What is the InChIKey of tert-butyl N-[3-(5-chloro-2-hydroxyphenyl)prop-2-enyl]carbamate?
The InChIKey is NGQWECRQWVESPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-14(2,3)19-13(18)16-8-4-5-10-9-11(15)6-7-12(10)17/h4-7,9,17H,8H2,1-3H3,(H,16,18).
What are the key properties of tert-butyl N-[3-(5-chloro-2-hydroxyphenyl)prop-2-enyl]carbamate?
tert-butyl N-[3-(5-chloro-2-hydroxyphenyl)prop-2-enyl]carbamate has a molecular weight of 283.75 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(5-chloro-2-hydroxyphenyl)prop-2-enyl]carbamate is sourced from PubChem (CID 169467081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).