methyl N-[4-(hydroxymethyl)phenyl]carbamate

C9H11NO3 — CID 64793961

IUPACmethyl N-[4-(hydroxymethyl)phenyl]carbamate
SMILESCOC(=O)Nc1ccc(CO)cc1
InChIInChI=1S/C9H11NO3/c1-13-9(12)10-8-4-2-7(6-11)3-5-8/h2-5,11H,6H2,1H3,(H,10,12)
InChIKeyUHCHIYYHZLRBBK-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.36
Rot. Bonds2

About methyl N-[4-(hydroxymethyl)phenyl]carbamate

methyl N-[4-(hydroxymethyl)phenyl]carbamate (PubChem CID 64793961) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is methyl N-[4-(hydroxymethyl)phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-(hydroxymethyl)phenyl]carbamate
PubChem CID64793961
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Namemethyl N-[4-(hydroxymethyl)phenyl]carbamate
SMILESCOC(=O)Nc1ccc(CO)cc1
InChIInChI=1S/C9H11NO3/c1-13-9(12)10-8-4-2-7(6-11)3-5-8/h2-5,11H,6H2,1H3,(H,10,12)
InChIKeyUHCHIYYHZLRBBK-UHFFFAOYSA-N
XLogP1.36
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(hydroxymethyl)phenyl]-2-methoxyacetamide
CID 64794296
methyl N-[4-(4-aminobutyl)phenyl]carbamate
CID 117318517
methyl N-[4-[4-[4-(3-hydroxy-2-oxopropyl)phenyl]butyl]phenyl]carbamate
CID 159104489
methyl N-(4-sulfanylphenyl)carbamate
CID 603048
1-[4-(hydroxymethyl)phenyl]-3-(4-methylphenyl)urea
CID 64794146
butane;methyl N-(4-methylphenyl)carbamate
CID 155739087
2-amino-N-[4-(hydroxymethyl)phenyl]acetamide;ethane
CID 144997622
methyl N-[4-(butanoylamino)phenyl]carbamate
CID 47251296
methyl N-(4-acetylphenyl)carbamate;propane
CID 177246404
methyl N-[4-[[4-(2-methylpropanoylamino)phenyl]methyl]phenyl]carbamate;molecular hydrogen
CID 144683165
methyl N-[4-[(prop-2-enoylamino)methyl]phenyl]carbamate
CID 115357516
methyl N-[4-[4-[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]butyl]phenyl]carbamate
CID 73426367

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-(hydroxymethyl)phenyl]carbamate?
The IUPAC name of methyl N-[4-(hydroxymethyl)phenyl]carbamate (CID 64793961) is methyl N-[4-(hydroxymethyl)phenyl]carbamate.
What is the SMILES notation for methyl N-[4-(hydroxymethyl)phenyl]carbamate?
The canonical SMILES for methyl N-[4-(hydroxymethyl)phenyl]carbamate is COC(=O)Nc1ccc(CO)cc1.
What is the InChIKey of methyl N-[4-(hydroxymethyl)phenyl]carbamate?
The InChIKey is UHCHIYYHZLRBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-13-9(12)10-8-4-2-7(6-11)3-5-8/h2-5,11H,6H2,1H3,(H,10,12).
What are the key properties of methyl N-[4-(hydroxymethyl)phenyl]carbamate?
methyl N-[4-(hydroxymethyl)phenyl]carbamate has a molecular weight of 181.19 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-(hydroxymethyl)phenyl]carbamate is sourced from PubChem (CID 64793961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).