3-Methoxyphenyl methylcarbamate

HCID 77540

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Basic information

CAS: 3938-28-1
Standard SMILES: CNC(=O)Oc1cccc(OC)c1
InChIKey: QHZWXMFBIJJCEB-UHFFFAOYSA-N
Molecular formula: C9H11NO3
Average molar mass: 181.19 g/mol
Monoisotopic mass: 181.07389321

Names & identifiers

Preferred name: 3-Methoxyphenyl methylcarbamate
IUPAC: (3-methoxyphenyl) N-methylcarbamate

Names & synonyms

3-methoxyphenyl methylcarbamate3938-28-1Phenol, 3-methoxy-, methylcarbamateS3ZG7B2093NSC 33075NSC-330753-METHOXYPHENYL N-METHYLCARBAMATEUNII-S3ZG7B2093AI3-25853Phenol, 3-methoxy-, 1-(N-methylcarbamate)DTXSID00192575M-METHOXYPHENYL METHYLCARBAMATE

Show more names

PHENOL, M-METHOXY-, METHYLCARBAMATECARBAMIC ACID, METHYL-, M-METHOXYPHENYL ESTERRefChem:94657DTXCID40115066InChI=1/C9H11NO3/c1-10-9(11)13-8-5-3-4-7(6-8)12-2/h3-6H,1-2H3,(H,10,11CHEMBL3249287SCHEMBL20264521NSC33075

Database identifiers

CAS: 3938-28-1
PubChem CID: 77540
DTXSID: DTXSID00192575
ChEMBL: CHEMBL3249287
UNII: S3ZG7B2093
Nikkaji: J747.750C

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 47.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 172

Experimental & physicochemical properties

LogP1.34

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