[1-hydroxy-1-(2-methylphenyl)butan-2-yl] carbamate

C12H17NO3 — CID 123953275

IUPAC[1-hydroxy-1-(2-methylphenyl)butan-2-yl] carbamate
SMILESCCC(OC(N)=O)C(O)c1ccccc1C
InChIInChI=1S/C12H17NO3/c1-3-10(16-12(13)15)11(14)9-7-5-4-6-8(9)2/h4-7,10-11,14H,3H2,1-2H3,(H2,13,15)
InChIKeyHPAARBAROIULJD-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.90
Rot. Bonds4

About [1-hydroxy-1-(2-methylphenyl)butan-2-yl] carbamate

[1-hydroxy-1-(2-methylphenyl)butan-2-yl] carbamate (PubChem CID 123953275) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is [1-hydroxy-1-(2-methylphenyl)butan-2-yl] carbamate.

Molecular Properties

Compound Name[1-hydroxy-1-(2-methylphenyl)butan-2-yl] carbamate
PubChem CID123953275
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name[1-hydroxy-1-(2-methylphenyl)butan-2-yl] carbamate
SMILESCCC(OC(N)=O)C(O)c1ccccc1C
InChIInChI=1S/C12H17NO3/c1-3-10(16-12(13)15)11(14)9-7-5-4-6-8(9)2/h4-7,10-11,14H,3H2,1-2H3,(H2,13,15)
InChIKeyHPAARBAROIULJD-UHFFFAOYSA-N
XLogP1.90
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-hydroxy-1-(2-iodophenyl)butan-2-yl] carbamate
CID 56596322
[1-methoxy-1-(2-methylphenyl)hexan-2-yl] carbamate
CID 123697501
amino (2S)-2-(2-methylphenyl)butanoate
CID 46912072
[2-methoxy-1-(2-methylphenyl)propyl] carbamate
CID 123675693
methyl (2S,3R)-2,3-dihydroxy-3-(2-methylphenyl)propanoate
CID 90018572
(1R)-1-(2-methylphenyl)propan-1-ol
CID 10964682
1-(2-methylphenyl)-2-methylsulfonylbutan-1-ol
CID 102550150
3-ethoxy-2-(2-methylphenyl)-3-oxopropanoic acid
CID 103974778
1-[2-(1-chloropropyl)phenyl]ethyl carbamate
CID 67665336
2-[[(1R)-1-(2-methylphenyl)ethyl]amino]butanamide
CID 81375406
ethyl 2-(2-methylphenyl)-3-oxopropanoate
CID 13330266
ethyl 2-(2-methylphenyl)-2-methylsulfanylacetate
CID 12946319

Frequently Asked Questions

What is the IUPAC name of [1-hydroxy-1-(2-methylphenyl)butan-2-yl] carbamate?
The IUPAC name of [1-hydroxy-1-(2-methylphenyl)butan-2-yl] carbamate (CID 123953275) is [1-hydroxy-1-(2-methylphenyl)butan-2-yl] carbamate.
What is the SMILES notation for [1-hydroxy-1-(2-methylphenyl)butan-2-yl] carbamate?
The canonical SMILES for [1-hydroxy-1-(2-methylphenyl)butan-2-yl] carbamate is CCC(OC(N)=O)C(O)c1ccccc1C.
What is the InChIKey of [1-hydroxy-1-(2-methylphenyl)butan-2-yl] carbamate?
The InChIKey is HPAARBAROIULJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-3-10(16-12(13)15)11(14)9-7-5-4-6-8(9)2/h4-7,10-11,14H,3H2,1-2H3,(H2,13,15).
What are the key properties of [1-hydroxy-1-(2-methylphenyl)butan-2-yl] carbamate?
[1-hydroxy-1-(2-methylphenyl)butan-2-yl] carbamate has a molecular weight of 223.27 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-hydroxy-1-(2-methylphenyl)butan-2-yl] carbamate is sourced from PubChem (CID 123953275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).