(3-methylphenyl)methyl carbamate

C9H11NO2 — CID 54302336

IUPAC(3-methylphenyl)methyl carbamate
SMILESCc1cccc(COC(N)=O)c1
InChIInChI=1S/C9H11NO2/c1-7-3-2-4-8(5-7)6-12-9(10)11/h2-5H,6H2,1H3,(H2,10,11)
InChIKeySFCUGDFZHWDXJY-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.59
Rot. Bonds2

About (3-methylphenyl)methyl carbamate

(3-methylphenyl)methyl carbamate (PubChem CID 54302336) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is (3-methylphenyl)methyl carbamate.

Molecular Properties

Compound Name(3-methylphenyl)methyl carbamate
PubChem CID54302336
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name(3-methylphenyl)methyl carbamate
SMILESCc1cccc(COC(N)=O)c1
InChIInChI=1S/C9H11NO2/c1-7-3-2-4-8(5-7)6-12-9(10)11/h2-5H,6H2,1H3,(H2,10,11)
InChIKeySFCUGDFZHWDXJY-UHFFFAOYSA-N
XLogP1.59
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)methyl carbamate?
The IUPAC name of (3-methylphenyl)methyl carbamate (CID 54302336) is (3-methylphenyl)methyl carbamate.
What is the SMILES notation for (3-methylphenyl)methyl carbamate?
The canonical SMILES for (3-methylphenyl)methyl carbamate is Cc1cccc(COC(N)=O)c1.
What is the InChIKey of (3-methylphenyl)methyl carbamate?
The InChIKey is SFCUGDFZHWDXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-7-3-2-4-8(5-7)6-12-9(10)11/h2-5H,6H2,1H3,(H2,10,11).
What are the key properties of (3-methylphenyl)methyl carbamate?
(3-methylphenyl)methyl carbamate has a molecular weight of 165.19 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)methyl carbamate is sourced from PubChem (CID 54302336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).