[1-(2-chlorophenyl)-2-hydroxypropyl] N-propan-2-ylcarbamate

C13H18ClNO3 — CID 56596269

IUPAC[1-(2-chlorophenyl)-2-hydroxypropyl] N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)OC(c1ccccc1Cl)C(C)O
InChIInChI=1S/C13H18ClNO3/c1-8(2)15-13(17)18-12(9(3)16)10-6-4-5-7-11(10)14/h4-9,12,16H,1-3H3,(H,15,17)
InChIKeyGICHPLXMRFBHRR-UHFFFAOYSA-N
MW271.74 g/mol
LogP2.90
Rot. Bonds4

About [1-(2-chlorophenyl)-2-hydroxypropyl] N-propan-2-ylcarbamate

[1-(2-chlorophenyl)-2-hydroxypropyl] N-propan-2-ylcarbamate (PubChem CID 56596269) has the molecular formula C13H18ClNO3 and a molecular weight of 271.74 g/mol. Its IUPAC name is [1-(2-chlorophenyl)-2-hydroxypropyl] N-propan-2-ylcarbamate.

Molecular Properties

Compound Name[1-(2-chlorophenyl)-2-hydroxypropyl] N-propan-2-ylcarbamate
PubChem CID56596269
Molecular FormulaC13H18ClNO3
Molecular Weight271.74 g/mol
Exact Mass271.10
IUPAC Name[1-(2-chlorophenyl)-2-hydroxypropyl] N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)OC(c1ccccc1Cl)C(C)O
InChIInChI=1S/C13H18ClNO3/c1-8(2)15-13(17)18-12(9(3)16)10-6-4-5-7-11(10)14/h4-9,12,16H,1-3H3,(H,15,17)
InChIKeyGICHPLXMRFBHRR-UHFFFAOYSA-N
XLogP2.90
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R)-1-(2-chlorophenyl)-1-methoxypropan-2-yl] N-propan-2-ylcarbamate
CID 144705888
[(1S,2S)-1-(2-chlorophenyl)-2-hydroxypropyl] carbamate
CID 68641294
[3-(2-chlorophenyl)-3-(methoxymethoxy)-2-methylpropyl] N-propan-2-ylcarbamate
CID 123237058
1-[(1S)-1-(2-chlorophenyl)ethyl]-3-propan-2-ylurea
CID 29026170
[1-(2-chlorophenyl)-1-hydroxypropan-2-yl] N-butan-2-ylcarbamate
CID 90433258
(1S,2S)-1-(2-chlorophenyl)-1-(methoxymethoxy)propan-2-ol
CID 137375754
(2S)-1-(2-chlorophenyl)-1-(methoxymethoxy)propan-2-ol
CID 147232320
N-[1-(2-chlorophenyl)ethyl]-3-methylbutanamide
CID 78773468
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-propan-2-ylpropanamide
CID 81378852
(2S,3R)-2-(2-chlorophenyl)-3-hydroxybutanoic acid
CID 156875772
3-(2-chlorophenyl)butanoic acid
CID 54775987
propan-2-yl (3R)-3-(2-chlorophenyl)-3-(3-methylbutanoylamino)propanoate
CID 51926264

Frequently Asked Questions

What is the IUPAC name of [1-(2-chlorophenyl)-2-hydroxypropyl] N-propan-2-ylcarbamate?
The IUPAC name of [1-(2-chlorophenyl)-2-hydroxypropyl] N-propan-2-ylcarbamate (CID 56596269) is [1-(2-chlorophenyl)-2-hydroxypropyl] N-propan-2-ylcarbamate.
What is the SMILES notation for [1-(2-chlorophenyl)-2-hydroxypropyl] N-propan-2-ylcarbamate?
The canonical SMILES for [1-(2-chlorophenyl)-2-hydroxypropyl] N-propan-2-ylcarbamate is CC(C)NC(=O)OC(c1ccccc1Cl)C(C)O.
What is the InChIKey of [1-(2-chlorophenyl)-2-hydroxypropyl] N-propan-2-ylcarbamate?
The InChIKey is GICHPLXMRFBHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3/c1-8(2)15-13(17)18-12(9(3)16)10-6-4-5-7-11(10)14/h4-9,12,16H,1-3H3,(H,15,17).
What are the key properties of [1-(2-chlorophenyl)-2-hydroxypropyl] N-propan-2-ylcarbamate?
[1-(2-chlorophenyl)-2-hydroxypropyl] N-propan-2-ylcarbamate has a molecular weight of 271.74 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chlorophenyl)-2-hydroxypropyl] N-propan-2-ylcarbamate is sourced from PubChem (CID 56596269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).