(2-hydroxy-2-phenylbutyl) carbamate

C11H15NO3 — CID 5752

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IUPAC(2-hydroxy-2-phenylbutyl) carbamate
SMILESCCC(O)(COC(N)=O)c1ccccc1
InChIInChI=1S/C11H15NO3/c1-2-11(14,8-15-10(12)13)9-6-4-3-5-7-9/h3-7,14H,2,8H2,1H3,(H2,12,13)
InChIKeyWAFIYOULDIWAKR-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.38
Rot. Bonds4

About (2-hydroxy-2-phenylbutyl) carbamate

(2-hydroxy-2-phenylbutyl) carbamate (PubChem CID 5752) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is (2-hydroxy-2-phenylbutyl) carbamate.

Molecular Properties

Compound Name(2-hydroxy-2-phenylbutyl) carbamate
PubChem CID5752
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name(2-hydroxy-2-phenylbutyl) carbamate
SMILESCCC(O)(COC(N)=O)c1ccccc1
InChIInChI=1S/C11H15NO3/c1-2-11(14,8-15-10(12)13)9-6-4-3-5-7-9/h3-7,14H,2,8H2,1H3,(H2,12,13)
InChIKeyWAFIYOULDIWAKR-UHFFFAOYSA-N
XLogP1.38
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Styramate
CID 7186
2-Phenyl-1,3-propanediol monocarbamate
CID 213060
(+-)-2-Phenyl-1,2-propanediol
CID 97867
2-Hydroxyfelbamate
CID 10400039
Carbamic acid, (alpha-ethylbenzyl) ester
CID 52366
Tert-butyl N-(benzyloxy)carbamate
CID 736159
3-Phenyloxetan-3-ol
CID 12699448
AC1LD6YE
CID 643316
ethyl N-phenylmethoxycarbamate
CID 255288
Carbamic acid, 3-hydroxy-3-phenylpropyl ester
CID 572086
2-Phenylbutane-2,3-diol
CID 234227
tert-butyl N-(1-phenylbuta-2,3-dienoxy)carbamate
CID 134856475

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-2-phenylbutyl) carbamate?
The IUPAC name of (2-hydroxy-2-phenylbutyl) carbamate (CID 5752) is (2-hydroxy-2-phenylbutyl) carbamate.
What is the SMILES notation for (2-hydroxy-2-phenylbutyl) carbamate?
The canonical SMILES for (2-hydroxy-2-phenylbutyl) carbamate is CCC(O)(COC(N)=O)c1ccccc1.
What is the InChIKey of (2-hydroxy-2-phenylbutyl) carbamate?
The InChIKey is WAFIYOULDIWAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-2-11(14,8-15-10(12)13)9-6-4-3-5-7-9/h3-7,14H,2,8H2,1H3,(H2,12,13).
What are the key properties of (2-hydroxy-2-phenylbutyl) carbamate?
(2-hydroxy-2-phenylbutyl) carbamate has a molecular weight of 209.25 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-2-phenylbutyl) carbamate is sourced from PubChem (CID 5752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).