(2-chloro-3-propan-2-ylphenyl) N-methylcarbamate

C11H14ClNO2 — CID 19107

IUPAC(2-chloro-3-propan-2-ylphenyl) N-methylcarbamate
SMILESCNC(=O)Oc1cccc(C(C)C)c1Cl
InChIInChI=1S/C11H14ClNO2/c1-7(2)8-5-4-6-9(10(8)12)15-11(14)13-3/h4-7H,1-3H3,(H,13,14)
InChIKeyOYQYZTQPLCFOSQ-UHFFFAOYSA-N
MW227.69 g/mol
LogP3.18
Rot. Bonds2

About (2-chloro-3-propan-2-ylphenyl) N-methylcarbamate

(2-chloro-3-propan-2-ylphenyl) N-methylcarbamate (PubChem CID 19107) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is (2-chloro-3-propan-2-ylphenyl) N-methylcarbamate.

Molecular Properties

Compound Name(2-chloro-3-propan-2-ylphenyl) N-methylcarbamate
PubChem CID19107
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name(2-chloro-3-propan-2-ylphenyl) N-methylcarbamate
SMILESCNC(=O)Oc1cccc(C(C)C)c1Cl
InChIInChI=1S/C11H14ClNO2/c1-7(2)8-5-4-6-9(10(8)12)15-11(14)13-3/h4-7H,1-3H3,(H,13,14)
InChIKeyOYQYZTQPLCFOSQ-UHFFFAOYSA-N
XLogP3.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

M-Cumenyl Methylcarbamate
CID 6143
m-(1-Methylbutyl)phenyl methylcarbamate
CID 16787
Carbanolate
CID 522251
o-Chlorophenyl methylcarbamate
CID 19841
M-(1-Ethylpropyl)phenyl methylcarbamate
CID 12643
2-Chloro-4,5-dimethylphenyl (hydroxymethyl)carbamate
CID 26645
Carbamic acid, methyl-, 4-chloro-m-tolyl ester
CID 75765
Phenol, 3-(1-methylpropyl)-, 1-(N-methylcarbamate)
CID 12655
(3-propylphenyl) N-methylcarbamate
CID 21680056
Phenol, 2,4-dichloro-5-ethyl-3-methyl-, 1-(N-methylcarbamate)
CID 12644
2-Chloro-5-(1-methylethyl)phenol methylcarbamate
CID 17681
Carbamic acid, methyl-, 5-sec-butyl-2-chlorophenyl ester
CID 18014

Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-propan-2-ylphenyl) N-methylcarbamate?
The IUPAC name of (2-chloro-3-propan-2-ylphenyl) N-methylcarbamate (CID 19107) is (2-chloro-3-propan-2-ylphenyl) N-methylcarbamate.
What is the SMILES notation for (2-chloro-3-propan-2-ylphenyl) N-methylcarbamate?
The canonical SMILES for (2-chloro-3-propan-2-ylphenyl) N-methylcarbamate is CNC(=O)Oc1cccc(C(C)C)c1Cl.
What is the InChIKey of (2-chloro-3-propan-2-ylphenyl) N-methylcarbamate?
The InChIKey is OYQYZTQPLCFOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-7(2)8-5-4-6-9(10(8)12)15-11(14)13-3/h4-7H,1-3H3,(H,13,14).
What are the key properties of (2-chloro-3-propan-2-ylphenyl) N-methylcarbamate?
(2-chloro-3-propan-2-ylphenyl) N-methylcarbamate has a molecular weight of 227.69 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-propan-2-ylphenyl) N-methylcarbamate is sourced from PubChem (CID 19107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).