[2-methoxy-1-(2-methylphenyl)propyl] carbamate

C12H17NO3 — CID 123675693

IUPAC[2-methoxy-1-(2-methylphenyl)propyl] carbamate
SMILESCOC(C)C(OC(N)=O)c1ccccc1C
InChIInChI=1S/C12H17NO3/c1-8-6-4-5-7-10(8)11(9(2)15-3)16-12(13)14/h4-7,9,11H,1-3H3,(H2,13,14)
InChIKeyALBMMLZLANPLHJ-UHFFFAOYSA-N
MW223.27 g/mol
LogP2.17
Rot. Bonds4

About [2-methoxy-1-(2-methylphenyl)propyl] carbamate

[2-methoxy-1-(2-methylphenyl)propyl] carbamate (PubChem CID 123675693) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is [2-methoxy-1-(2-methylphenyl)propyl] carbamate.

Molecular Properties

Compound Name[2-methoxy-1-(2-methylphenyl)propyl] carbamate
PubChem CID123675693
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name[2-methoxy-1-(2-methylphenyl)propyl] carbamate
SMILESCOC(C)C(OC(N)=O)c1ccccc1C
InChIInChI=1S/C12H17NO3/c1-8-6-4-5-7-10(8)11(9(2)15-3)16-12(13)14/h4-7,9,11H,1-3H3,(H2,13,14)
InChIKeyALBMMLZLANPLHJ-UHFFFAOYSA-N
XLogP2.17
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-methoxy-1-(2-methylphenyl)hexan-2-yl] carbamate
CID 123697501
[(1S,2S)-1-(2-chlorophenyl)-2-hydroxypropyl] carbamate
CID 68641294
[(2S)-1-(2-iodophenyl)-2-(methoxymethoxy)propyl] carbamate
CID 175407160
[1-hydroxy-1-(2-methylphenyl)butan-2-yl] carbamate
CID 123953275
[1-methoxy-1-(2-methylphenyl)propan-2-yl] N-propylcarbamate
CID 123214058
dimethyl 2-(2-methylphenyl)propanedioate
CID 11276084
2-(2-methylphenyl)propanamide;dihydrochloride
CID 162317897
[(1S)-1-(2-methylphenyl)ethyl] acetate
CID 102370508
[(1R)-1-(2-methylphenyl)ethyl] acetate
CID 11062959
1-(2-methylphenyl)sulfanylethyl carbamate
CID 70554819
methyl 3,3-dimethoxy-2-(2-methylphenyl)propanoate
CID 143317164
[(2R,3S)-3-(2-methylphenyl)butan-2-yl] 2-aminoacetate
CID 139473149

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-1-(2-methylphenyl)propyl] carbamate?
The IUPAC name of [2-methoxy-1-(2-methylphenyl)propyl] carbamate (CID 123675693) is [2-methoxy-1-(2-methylphenyl)propyl] carbamate.
What is the SMILES notation for [2-methoxy-1-(2-methylphenyl)propyl] carbamate?
The canonical SMILES for [2-methoxy-1-(2-methylphenyl)propyl] carbamate is COC(C)C(OC(N)=O)c1ccccc1C.
What is the InChIKey of [2-methoxy-1-(2-methylphenyl)propyl] carbamate?
The InChIKey is ALBMMLZLANPLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-8-6-4-5-7-10(8)11(9(2)15-3)16-12(13)14/h4-7,9,11H,1-3H3,(H2,13,14).
What are the key properties of [2-methoxy-1-(2-methylphenyl)propyl] carbamate?
[2-methoxy-1-(2-methylphenyl)propyl] carbamate has a molecular weight of 223.27 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-1-(2-methylphenyl)propyl] carbamate is sourced from PubChem (CID 123675693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).