[4-(methoxymethyl)phenyl]methyl carbamate

C10H13NO3 — CID 175563517

IUPAC[4-(methoxymethyl)phenyl]methyl carbamate
SMILESCOCc1ccc(COC(N)=O)cc1
InChIInChI=1S/C10H13NO3/c1-13-6-8-2-4-9(5-3-8)7-14-10(11)12/h2-5H,6-7H2,1H3,(H2,11,12)
InChIKeyPUPJNGVTNRQMAE-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.43
Rot. Bonds4

About [4-(methoxymethyl)phenyl]methyl carbamate

[4-(methoxymethyl)phenyl]methyl carbamate (PubChem CID 175563517) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is [4-(methoxymethyl)phenyl]methyl carbamate.

Molecular Properties

Compound Name[4-(methoxymethyl)phenyl]methyl carbamate
PubChem CID175563517
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name[4-(methoxymethyl)phenyl]methyl carbamate
SMILESCOCc1ccc(COC(N)=O)cc1
InChIInChI=1S/C10H13NO3/c1-13-6-8-2-4-9(5-3-8)7-14-10(11)12/h2-5H,6-7H2,1H3,(H2,11,12)
InChIKeyPUPJNGVTNRQMAE-UHFFFAOYSA-N
XLogP1.43
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 175323121
benzyl carbamate;heptahydrochloride
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(4-phenylphenyl)methyl carbamate
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(4-ethynylphenyl)methyl carbamate
CID 126697141
4-[4-(methoxymethyl)phenyl]but-3-ynamide
CID 170472949
2-amino-1-[4-(methoxymethyl)phenyl]propan-1-one
CID 76541422
(Z)-1,2,3,4-tetrakis[4-(methoxymethyl)phenyl]but-2-ene-1,4-dione
CID 10907869
1-(methoxymethyl)-4-[[4-(methoxymethyl)phenyl]methoxymethyl]benzene
CID 21396720
(4-nonoxyphenyl)methyl carbamate
CID 154021041
(3-methoxy-2,2-dimethylpropyl) 4-(methoxymethyl)benzoate
CID 20654498
[4-(methoxymethyl)phenyl]methanamine;dihydrochloride
CID 133054354
1-[4-[4-[4-(methoxymethyl)phenyl]phenyl]phenyl]ethanone
CID 71344884

Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethyl)phenyl]methyl carbamate?
The IUPAC name of [4-(methoxymethyl)phenyl]methyl carbamate (CID 175563517) is [4-(methoxymethyl)phenyl]methyl carbamate.
What is the SMILES notation for [4-(methoxymethyl)phenyl]methyl carbamate?
The canonical SMILES for [4-(methoxymethyl)phenyl]methyl carbamate is COCc1ccc(COC(N)=O)cc1.
What is the InChIKey of [4-(methoxymethyl)phenyl]methyl carbamate?
The InChIKey is PUPJNGVTNRQMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-13-6-8-2-4-9(5-3-8)7-14-10(11)12/h2-5H,6-7H2,1H3,(H2,11,12).
What are the key properties of [4-(methoxymethyl)phenyl]methyl carbamate?
[4-(methoxymethyl)phenyl]methyl carbamate has a molecular weight of 195.22 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethyl)phenyl]methyl carbamate is sourced from PubChem (CID 175563517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).