(5-methoxy-2-phenylphenyl) carbamate

C14H13NO3 — CID 121375018

IUPAC(5-methoxy-2-phenylphenyl) carbamate
SMILESCOc1ccc(-c2ccccc2)c(OC(N)=O)c1
InChIInChI=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)
InChIKeyMRDFXVOHHSOZJS-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.82
Rot. Bonds3

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 CID121375018
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name(5-methoxy-2-phenylphenyl) carbamate
SMILESCOc1ccc(-c2ccccc2)c(OC(N)=O)c1
InChIInChI=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)
InChIKeyMRDFXVOHHSOZJS-UHFFFAOYSA-N
XLogP2.82
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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).