(2-hydroxy-2-phenylethyl) carbamate

C9H11NO3 — CID 7186

💊View drug profile → styramate
IUPAC(2-hydroxy-2-phenylethyl) carbamate
SMILESNC(=O)OCC(O)c1ccccc1
InChIInChI=1S/C9H11NO3/c10-9(12)13-6-8(11)7-4-2-1-3-5-7/h1-5,8,11H,6H2,(H2,10,12)
InChIKeyOCSOHUROTFFTFO-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.82
Rot. Bonds3

About (2-hydroxy-2-phenylethyl) carbamate

(2-hydroxy-2-phenylethyl) carbamate (PubChem CID 7186) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is (2-hydroxy-2-phenylethyl) carbamate.

Molecular Properties

Compound Name(2-hydroxy-2-phenylethyl) carbamate
PubChem CID7186
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name(2-hydroxy-2-phenylethyl) carbamate
SMILESNC(=O)OCC(O)c1ccccc1
InChIInChI=1S/C9H11NO3/c10-9(12)13-6-8(11)7-4-2-1-3-5-7/h1-5,8,11H,6H2,(H2,10,12)
InChIKeyOCSOHUROTFFTFO-UHFFFAOYSA-N
XLogP0.82
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-Phenyl-1,2-ethanediol
CID 7149
Hydroxyphenamate
CID 5752
Carisbamate
CID 6918474
2-Phenyl-1,3-propanediol monocarbamate
CID 213060
(1R)-(-)-1-Phenylethane-1,2-diol
CID 2724621
Benzenemethanol, alpha-(ethoxymethyl)-
CID 90768
1,2-Propanediol, 1-phenyl-
CID 15825
2-Hydroxyfelbamate
CID 10400039
Styrene glycol, (+)-
CID 643312
2-Methoxy-1-phenylethan-1-ol
CID 572294
1,2-Ethanediol, 1-phenyl-, 2-acetate
CID 112062
(1R,2S)-1-Phenylpropane-1,2-diol
CID 9964150

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-2-phenylethyl) carbamate?
The IUPAC name of (2-hydroxy-2-phenylethyl) carbamate (CID 7186) is (2-hydroxy-2-phenylethyl) carbamate.
What is the SMILES notation for (2-hydroxy-2-phenylethyl) carbamate?
The canonical SMILES for (2-hydroxy-2-phenylethyl) carbamate is NC(=O)OCC(O)c1ccccc1.
What is the InChIKey of (2-hydroxy-2-phenylethyl) carbamate?
The InChIKey is OCSOHUROTFFTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c10-9(12)13-6-8(11)7-4-2-1-3-5-7/h1-5,8,11H,6H2,(H2,10,12).
What are the key properties of (2-hydroxy-2-phenylethyl) carbamate?
(2-hydroxy-2-phenylethyl) carbamate has a molecular weight of 181.19 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-2-phenylethyl) carbamate is sourced from PubChem (CID 7186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).