[4-(4-ethyl-2-methoxyphenoxy)-3-fluorophenyl] carbamate

C16H16FNO4 — CID 69048837

IUPAC[4-(4-ethyl-2-methoxyphenoxy)-3-fluorophenyl] carbamate
SMILESCCc1ccc(Oc2ccc(OC(N)=O)cc2F)c(OC)c1
InChIInChI=1S/C16H16FNO4/c1-3-10-4-6-14(15(8-10)20-2)22-13-7-5-11(9-12(13)17)21-16(18)19/h4-9H,3H2,1-2H3,(H2,18,19)
InChIKeyDSIGZNBNTQSZKN-UHFFFAOYSA-N
MW305.31 g/mol
LogP3.65
Rot. Bonds5

About [4-(4-ethyl-2-methoxyphenoxy)-3-fluorophenyl] carbamate

[4-(4-ethyl-2-methoxyphenoxy)-3-fluorophenyl] carbamate (PubChem CID 69048837) has the molecular formula C16H16FNO4 and a molecular weight of 305.31 g/mol. Its IUPAC name is [4-(4-ethyl-2-methoxyphenoxy)-3-fluorophenyl] carbamate.

Molecular Properties

Compound Name[4-(4-ethyl-2-methoxyphenoxy)-3-fluorophenyl] carbamate
PubChem CID69048837
Molecular FormulaC16H16FNO4
Molecular Weight305.31 g/mol
Exact Mass305.11
IUPAC Name[4-(4-ethyl-2-methoxyphenoxy)-3-fluorophenyl] carbamate
SMILESCCc1ccc(Oc2ccc(OC(N)=O)cc2F)c(OC)c1
InChIInChI=1S/C16H16FNO4/c1-3-10-4-6-14(15(8-10)20-2)22-13-7-5-11(9-12(13)17)21-16(18)19/h4-9H,3H2,1-2H3,(H2,18,19)
InChIKeyDSIGZNBNTQSZKN-UHFFFAOYSA-N
XLogP3.65
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(4-ethyl-2-methoxyphenoxy)-3-fluorophenyl] carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(4-ethyl-2-methoxyphenoxy)-3-fluorophenyl] carbamate?
The IUPAC name of [4-(4-ethyl-2-methoxyphenoxy)-3-fluorophenyl] carbamate (CID 69048837) is [4-(4-ethyl-2-methoxyphenoxy)-3-fluorophenyl] carbamate.
What is the SMILES notation for [4-(4-ethyl-2-methoxyphenoxy)-3-fluorophenyl] carbamate?
The canonical SMILES for [4-(4-ethyl-2-methoxyphenoxy)-3-fluorophenyl] carbamate is CCc1ccc(Oc2ccc(OC(N)=O)cc2F)c(OC)c1.
What is the InChIKey of [4-(4-ethyl-2-methoxyphenoxy)-3-fluorophenyl] carbamate?
The InChIKey is DSIGZNBNTQSZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO4/c1-3-10-4-6-14(15(8-10)20-2)22-13-7-5-11(9-12(13)17)21-16(18)19/h4-9H,3H2,1-2H3,(H2,18,19).
What are the key properties of [4-(4-ethyl-2-methoxyphenoxy)-3-fluorophenyl] carbamate?
[4-(4-ethyl-2-methoxyphenoxy)-3-fluorophenyl] carbamate has a molecular weight of 305.31 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-ethyl-2-methoxyphenoxy)-3-fluorophenyl] carbamate is sourced from PubChem (CID 69048837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).