carbamic acid;(3-hydroxy-2-phenylpropyl) acetate

C12H17NO5 — CID 67572448

IUPACcarbamic acid;(3-hydroxy-2-phenylpropyl) acetate
SMILESCC(=O)OCC(CO)c1ccccc1.NC(=O)O
InChIInChI=1S/C11H14O3.CH3NO2/c1-9(13)14-8-11(7-12)10-5-3-2-4-6-10;2-1(3)4/h2-6,11-12H,7-8H2,1H3;2H2,(H,3,4)
InChIKeyKQBRSRYXTWOIPJ-UHFFFAOYSA-N
MW255.27 g/mol
LogP0.95
Rot. Bonds4

About carbamic acid;(3-hydroxy-2-phenylpropyl) acetate

carbamic acid;(3-hydroxy-2-phenylpropyl) acetate (PubChem CID 67572448) has the molecular formula C12H17NO5 and a molecular weight of 255.27 g/mol. Its IUPAC name is carbamic acid;(3-hydroxy-2-phenylpropyl) acetate.

Molecular Properties

Compound Namecarbamic acid;(3-hydroxy-2-phenylpropyl) acetate
PubChem CID67572448
Molecular FormulaC12H17NO5
Molecular Weight255.27 g/mol
Exact Mass255.11
IUPAC Namecarbamic acid;(3-hydroxy-2-phenylpropyl) acetate
SMILESCC(=O)OCC(CO)c1ccccc1.NC(=O)O
InChIInChI=1S/C11H14O3.CH3NO2/c1-9(13)14-8-11(7-12)10-5-3-2-4-6-10;2-1(3)4/h2-6,11-12H,7-8H2,1H3;2H2,(H,3,4)
InChIKeyKQBRSRYXTWOIPJ-UHFFFAOYSA-N
XLogP0.95
TPSA109.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-4-acetyloxy-3-phenylbutyl] acetate
CID 100998511
[2-(4-bromophenyl)-3-hydroxypropyl] acetate
CID 66718437
[(2S)-3-hydroxy-2-(4-methoxyphenyl)propyl] acetate
CID 15668336
O-(3-hydroxy-2-phenylpropyl) carbamothioate
CID 19956651
[(2S)-2-phenylpropyl] acetate
CID 10261650
(3-hydroxy-2-pyridin-2-ylpropyl) acetate
CID 22101011
3-(3-hydroxy-2-phenylpropoxy)-2-phenylpropan-1-ol
CID 56973826
(3-carbamoyloxy-2-phenylpropyl) carbamate;hydrate
CID 23581812
(5-hydroxy-2-methyl-4-phenylpentan-2-yl) carbamate
CID 150050073
bis(3-methoxy-2-phenylpropyl) carbonate
CID 141468293
[(Z)-2-phenylpent-3-enyl] acetate
CID 10512396
2-oxo-2-(2-phenylbutoxy)acetic acid
CID 22390935

Frequently Asked Questions

What is the IUPAC name of carbamic acid;(3-hydroxy-2-phenylpropyl) acetate?
The IUPAC name of carbamic acid;(3-hydroxy-2-phenylpropyl) acetate (CID 67572448) is carbamic acid;(3-hydroxy-2-phenylpropyl) acetate.
What is the SMILES notation for carbamic acid;(3-hydroxy-2-phenylpropyl) acetate?
The canonical SMILES for carbamic acid;(3-hydroxy-2-phenylpropyl) acetate is CC(=O)OCC(CO)c1ccccc1.NC(=O)O.
What is the InChIKey of carbamic acid;(3-hydroxy-2-phenylpropyl) acetate?
The InChIKey is KQBRSRYXTWOIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3.CH3NO2/c1-9(13)14-8-11(7-12)10-5-3-2-4-6-10;2-1(3)4/h2-6,11-12H,7-8H2,1H3;2H2,(H,3,4).
What are the key properties of carbamic acid;(3-hydroxy-2-phenylpropyl) acetate?
carbamic acid;(3-hydroxy-2-phenylpropyl) acetate has a molecular weight of 255.27 g/mol, XLogP of 0.95, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbamic acid;(3-hydroxy-2-phenylpropyl) acetate is sourced from PubChem (CID 67572448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).