(3-hydroxy-3-phenylpropyl) carbamate

C10H13NO3 — CID 572086

IUPAC(3-hydroxy-3-phenylpropyl) carbamate
SMILESNC(=O)OCCC(O)c1ccccc1
InChIInChI=1S/C10H13NO3/c11-10(13)14-7-6-9(12)8-4-2-1-3-5-8/h1-5,9,12H,6-7H2,(H2,11,13)
InChIKeyAQCQJMNSUZHBHM-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.21
Rot. Bonds4

About (3-hydroxy-3-phenylpropyl) carbamate

(3-hydroxy-3-phenylpropyl) carbamate (PubChem CID 572086) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is (3-hydroxy-3-phenylpropyl) carbamate.

Molecular Properties

Compound Name(3-hydroxy-3-phenylpropyl) carbamate
PubChem CID572086
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name(3-hydroxy-3-phenylpropyl) carbamate
SMILESNC(=O)OCCC(O)c1ccccc1
InChIInChI=1S/C10H13NO3/c11-10(13)14-7-6-9(12)8-4-2-1-3-5-8/h1-5,9,12H,6-7H2,(H2,11,13)
InChIKeyAQCQJMNSUZHBHM-UHFFFAOYSA-N
XLogP1.21
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Hydroxyphenamate
CID 5752
Styramate
CID 7186
Carisbamate
CID 6918474
Carfimate
CID 19111
2-Phenyl-1,3-propanediol monocarbamate
CID 213060
Benzyl hydroxycarbamate
CID 18907
1-Phenylbut-3-en-1-ol
CID 220119
Benzyl carbamate
CID 12136
(1S)-1-Phenylprop-2-En-1-Ol
CID 10197720
alpha-Vinylbenzyl alcohol
CID 92986
2-Hydroxyfelbamate
CID 10400039
Phenethyl carbamate
CID 233105

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-3-phenylpropyl) carbamate?
The IUPAC name of (3-hydroxy-3-phenylpropyl) carbamate (CID 572086) is (3-hydroxy-3-phenylpropyl) carbamate.
What is the SMILES notation for (3-hydroxy-3-phenylpropyl) carbamate?
The canonical SMILES for (3-hydroxy-3-phenylpropyl) carbamate is NC(=O)OCCC(O)c1ccccc1.
What is the InChIKey of (3-hydroxy-3-phenylpropyl) carbamate?
The InChIKey is AQCQJMNSUZHBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c11-10(13)14-7-6-9(12)8-4-2-1-3-5-8/h1-5,9,12H,6-7H2,(H2,11,13).
What are the key properties of (3-hydroxy-3-phenylpropyl) carbamate?
(3-hydroxy-3-phenylpropyl) carbamate has a molecular weight of 195.22 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-3-phenylpropyl) carbamate is sourced from PubChem (CID 572086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).