About (5-methoxy-2-phenylphenyl) carbamate
(5-methoxy-2-phenylphenyl) carbamate (PubChem CID 121375018) has the molecular formula C14H13NO3
and a molecular weight of 243.26 g/mol. Its IUPAC name is (5-methoxy-2-phenylphenyl) carbamate.
Molecular Properties
| Compound Name | (5-methoxy-2-phenylphenyl) carbamate |
| PubChem CID | 121375018 |
| Molecular Formula | C14H13NO3 |
| Molecular Weight | 243.26 g/mol |
| Exact Mass | 243.09 |
| IUPAC Name | (5-methoxy-2-phenylphenyl) carbamate |
| SMILES | COc1ccc(-c2ccccc2)c(OC(N)=O)c1 |
| InChI | InChI=1S/C14H13NO3/c1-17-11-7-8-12(10-5-3-2-4-6-10)13(9-11)18-14(15)16/h2-9H,1H3,(H2,15,16) |
| InChIKey | MRDFXVOHHSOZJS-UHFFFAOYSA-N |
| XLogP | 2.82 |
| TPSA | 61.55 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 18 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 243.26 |
| LogP ≤ 5 | 2.82 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of (5-methoxy-2-phenylphenyl) carbamate?
The IUPAC name of (5-methoxy-2-phenylphenyl) carbamate (CID 121375018) is (5-methoxy-2-phenylphenyl) carbamate.
What is the SMILES notation for (5-methoxy-2-phenylphenyl) carbamate?
The canonical SMILES for (5-methoxy-2-phenylphenyl) carbamate is COc1ccc(-c2ccccc2)c(OC(N)=O)c1.
What is the InChIKey of (5-methoxy-2-phenylphenyl) carbamate?
The InChIKey is MRDFXVOHHSOZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-17-11-7-8-12(10-5-3-2-4-6-10)13(9-11)18-14(15)16/h2-9H,1H3,(H2,15,16).
What are the key properties of (5-methoxy-2-phenylphenyl) carbamate?
(5-methoxy-2-phenylphenyl) carbamate has a molecular weight of 243.26 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-2-phenylphenyl) carbamate is sourced from PubChem (CID 121375018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).