tert-butyl N-[2-chloro-5-(2-hydroxypropyl)phenyl]carbamate

C14H20ClNO3 — CID 117114508

IUPACtert-butyl N-[2-chloro-5-(2-hydroxypropyl)phenyl]carbamate
SMILESCC(O)Cc1ccc(Cl)c(NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C14H20ClNO3/c1-9(17)7-10-5-6-11(15)12(8-10)16-13(18)19-14(2,3)4/h5-6,8-9,17H,7H2,1-4H3,(H,16,18)
InChIKeyNVGWLLAPUMEDEK-UHFFFAOYSA-N
MW285.77 g/mol
LogP3.61
Rot. Bonds3

About tert-butyl N-[2-chloro-5-(2-hydroxypropyl)phenyl]carbamate

tert-butyl N-[2-chloro-5-(2-hydroxypropyl)phenyl]carbamate (PubChem CID 117114508) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is tert-butyl N-[2-chloro-5-(2-hydroxypropyl)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-chloro-5-(2-hydroxypropyl)phenyl]carbamate
PubChem CID117114508
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC Nametert-butyl N-[2-chloro-5-(2-hydroxypropyl)phenyl]carbamate
SMILESCC(O)Cc1ccc(Cl)c(NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C14H20ClNO3/c1-9(17)7-10-5-6-11(15)12(8-10)16-13(18)19-14(2,3)4/h5-6,8-9,17H,7H2,1-4H3,(H,16,18)
InChIKeyNVGWLLAPUMEDEK-UHFFFAOYSA-N
XLogP3.61
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-[4-chloro-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoic acid
CID 117115210
tert-butyl N-[5-(2-hydroxypropyl)-1H-indol-3-yl]carbamate
CID 167467699
tert-butyl N-(2,5-dichlorophenyl)carbamate
CID 4935502
tert-butyl N-[2-chloro-5-(4-oxobutan-2-yl)phenyl]carbamate
CID 117107577
tert-butyl N-[2-chloro-4-(chloromethyl)phenyl]carbamate
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tert-butyl N-[2-chloro-5-(methylcarbamoyl)phenyl]carbamate
CID 65142598
tert-butyl N-(2-chloro-5-nitrophenyl)carbamate
CID 58553070
tert-butyl N-[2-chloro-5-(1-hydroxycyclopropyl)phenyl]carbamate
CID 117117411
ethyl 3-[4-chloro-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]prop-2-enoate
CID 67067542
tert-butyl N-(2-chloro-4-hydroxyphenyl)carbamate
CID 54121498
tert-butyl N-[2-bromo-5-(hydroxymethyl)phenyl]carbamate
CID 117236636
tert-butyl N-[5-(hydroxymethyl)-2-methoxyphenyl]carbamate
CID 117236640

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-chloro-5-(2-hydroxypropyl)phenyl]carbamate?
The IUPAC name of tert-butyl N-[2-chloro-5-(2-hydroxypropyl)phenyl]carbamate (CID 117114508) is tert-butyl N-[2-chloro-5-(2-hydroxypropyl)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-chloro-5-(2-hydroxypropyl)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-chloro-5-(2-hydroxypropyl)phenyl]carbamate is CC(O)Cc1ccc(Cl)c(NC(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl N-[2-chloro-5-(2-hydroxypropyl)phenyl]carbamate?
The InChIKey is NVGWLLAPUMEDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-9(17)7-10-5-6-11(15)12(8-10)16-13(18)19-14(2,3)4/h5-6,8-9,17H,7H2,1-4H3,(H,16,18).
What are the key properties of tert-butyl N-[2-chloro-5-(2-hydroxypropyl)phenyl]carbamate?
tert-butyl N-[2-chloro-5-(2-hydroxypropyl)phenyl]carbamate has a molecular weight of 285.77 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-chloro-5-(2-hydroxypropyl)phenyl]carbamate is sourced from PubChem (CID 117114508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).