tert-butyl carbamate;1-phenylpropan-1-ol

C14H23NO3 — CID 21221796

IUPACtert-butyl carbamate;1-phenylpropan-1-ol
SMILESCC(C)(C)OC(N)=O.CCC(O)c1ccccc1
InChIInChI=1S/C9H12O.C5H11NO2/c1-2-9(10)8-6-4-3-5-7-8;1-5(2,3)8-4(6)7/h3-7,9-10H,2H2,1H3;1-3H3,(H2,6,7)
InChIKeyVUXBOSSHNOUGPP-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.01
Rot. Bonds2

About tert-butyl carbamate;1-phenylpropan-1-ol

tert-butyl carbamate;1-phenylpropan-1-ol (PubChem CID 21221796) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is tert-butyl carbamate;1-phenylpropan-1-ol.

Molecular Properties

Compound Nametert-butyl carbamate;1-phenylpropan-1-ol
PubChem CID21221796
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Nametert-butyl carbamate;1-phenylpropan-1-ol
SMILESCC(C)(C)OC(N)=O.CCC(O)c1ccccc1
InChIInChI=1S/C9H12O.C5H11NO2/c1-2-9(10)8-6-4-3-5-7-8;1-5(2,3)8-4(6)7/h3-7,9-10H,2H2,1H3;1-3H3,(H2,6,7)
InChIKeyVUXBOSSHNOUGPP-UHFFFAOYSA-N
XLogP3.01
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenylpropan-1-ol;hydrate
CID 156782934
tert-butyl carbamate;propylbenzene
CID 146635957
tert-butyl 4-(1-hydroxypropyl)benzoate
CID 21473763
tert-butyl 3-methyl-2-phenylpentanoate
CID 63896641
dichloromethane;1-phenylpropan-1-ol
CID 175142848
1-phenylpropan-1-ol;2-phenylpropan-2-ol
CID 174769511
benzoic acid;tert-butyl carbamate;methanethiol
CID 168913847
2-amino-3-hydroxypropanoic acid;1-phenylpropan-1-ol
CID 174962232
(5-hydroxy-2-methyl-4-phenylpentan-2-yl) carbamate
CID 150050073
tert-butyl carbamate;1-methyl-4-phenylbenzene
CID 174572065
1-phenylpropan-1-ol;3-phenylprop-2-enoic acid
CID 174889683
tert-butyl carbamate;2-phenylethyl carbamate
CID 142108258

Frequently Asked Questions

What is the IUPAC name of tert-butyl carbamate;1-phenylpropan-1-ol?
The IUPAC name of tert-butyl carbamate;1-phenylpropan-1-ol (CID 21221796) is tert-butyl carbamate;1-phenylpropan-1-ol.
What is the SMILES notation for tert-butyl carbamate;1-phenylpropan-1-ol?
The canonical SMILES for tert-butyl carbamate;1-phenylpropan-1-ol is CC(C)(C)OC(N)=O.CCC(O)c1ccccc1.
What is the InChIKey of tert-butyl carbamate;1-phenylpropan-1-ol?
The InChIKey is VUXBOSSHNOUGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O.C5H11NO2/c1-2-9(10)8-6-4-3-5-7-8;1-5(2,3)8-4(6)7/h3-7,9-10H,2H2,1H3;1-3H3,(H2,6,7).
What are the key properties of tert-butyl carbamate;1-phenylpropan-1-ol?
tert-butyl carbamate;1-phenylpropan-1-ol has a molecular weight of 253.34 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl carbamate;1-phenylpropan-1-ol is sourced from PubChem (CID 21221796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).