[3-(1-hydroxyethyl)-5-methylphenyl] N-methylcarbamate

C11H15NO3 — CID 154515716

IUPAC[3-(1-hydroxyethyl)-5-methylphenyl] N-methylcarbamate
SMILESCNC(=O)Oc1cc(C)cc(C(C)O)c1
InChIInChI=1S/C11H15NO3/c1-7-4-9(8(2)13)6-10(5-7)15-11(14)12-3/h4-6,8,13H,1-3H3,(H,12,14)
InChIKeyUACVODWXXLPBFC-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.77
Rot. Bonds2

About [3-(1-hydroxyethyl)-5-methylphenyl] N-methylcarbamate

[3-(1-hydroxyethyl)-5-methylphenyl] N-methylcarbamate (PubChem CID 154515716) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is [3-(1-hydroxyethyl)-5-methylphenyl] N-methylcarbamate.

Molecular Properties

Compound Name[3-(1-hydroxyethyl)-5-methylphenyl] N-methylcarbamate
PubChem CID154515716
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name[3-(1-hydroxyethyl)-5-methylphenyl] N-methylcarbamate
SMILESCNC(=O)Oc1cc(C)cc(C(C)O)c1
InChIInChI=1S/C11H15NO3/c1-7-4-9(8(2)13)6-10(5-7)15-11(14)12-3/h4-6,8,13H,1-3H3,(H,12,14)
InChIKeyUACVODWXXLPBFC-UHFFFAOYSA-N
XLogP1.77
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methyl-5-propan-2-ylphenyl) N-methylcarbamate
CID 23447077
(3,5-dimethylphenyl) N-methylcarbamate
CID 17563
(3-tert-butyl-5-methylphenyl) N-methylcarbamate
CID 23274278
[3-methyl-5-(methylcarbamoyloxy)phenyl] N,N-dimethylcarbamate
CID 142031246
(3,5-dimethylphenyl) N-propan-2-ylcarbamate
CID 54452790
1-(3-ethoxy-5-methylphenyl)ethanol
CID 171367862
(2,3,5-trimethylphenyl) N-methylcarbamate;(3,4,5-trimethylphenyl) N-methylcarbamate
CID 25549
(3,5-dimethyl-4-methylsulfinylphenyl) N-methylcarbamate
CID 17521
(3-methyl-5-propan-2-ylphenyl) 3,5-dichlorobenzoate
CID 2445360
1-(3-bromo-5-methylphenyl)ethanol
CID 84680750
1-but-2-en-2-yloxy-3-methyl-5-propan-2-ylbenzene
CID 57053042
(3,5-dimethylphenyl) N-prop-1-enylcarbamate
CID 71409237

Frequently Asked Questions

What is the IUPAC name of [3-(1-hydroxyethyl)-5-methylphenyl] N-methylcarbamate?
The IUPAC name of [3-(1-hydroxyethyl)-5-methylphenyl] N-methylcarbamate (CID 154515716) is [3-(1-hydroxyethyl)-5-methylphenyl] N-methylcarbamate.
What is the SMILES notation for [3-(1-hydroxyethyl)-5-methylphenyl] N-methylcarbamate?
The canonical SMILES for [3-(1-hydroxyethyl)-5-methylphenyl] N-methylcarbamate is CNC(=O)Oc1cc(C)cc(C(C)O)c1.
What is the InChIKey of [3-(1-hydroxyethyl)-5-methylphenyl] N-methylcarbamate?
The InChIKey is UACVODWXXLPBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-7-4-9(8(2)13)6-10(5-7)15-11(14)12-3/h4-6,8,13H,1-3H3,(H,12,14).
What are the key properties of [3-(1-hydroxyethyl)-5-methylphenyl] N-methylcarbamate?
[3-(1-hydroxyethyl)-5-methylphenyl] N-methylcarbamate has a molecular weight of 209.24 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-hydroxyethyl)-5-methylphenyl] N-methylcarbamate is sourced from PubChem (CID 154515716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).