1-(2-phenoxyphenoxy)ethylcarbamic acid

C15H15NO4 — CID 19775876

IUPAC1-(2-phenoxyphenoxy)ethylcarbamic acid
SMILESCC(NC(=O)O)Oc1ccccc1Oc1ccccc1
InChIInChI=1S/C15H15NO4/c1-11(16-15(17)18)19-13-9-5-6-10-14(13)20-12-7-3-2-4-8-12/h2-11,16H,1H3,(H,17,18)
InChIKeyNAKYJHKCUDOJBQ-UHFFFAOYSA-N
MW273.29 g/mol
LogP3.47
Rot. Bonds5

About 1-(2-phenoxyphenoxy)ethylcarbamic acid

1-(2-phenoxyphenoxy)ethylcarbamic acid (PubChem CID 19775876) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 1-(2-phenoxyphenoxy)ethylcarbamic acid.

Molecular Properties

Compound Name1-(2-phenoxyphenoxy)ethylcarbamic acid
PubChem CID19775876
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name1-(2-phenoxyphenoxy)ethylcarbamic acid
SMILESCC(NC(=O)O)Oc1ccccc1Oc1ccccc1
InChIInChI=1S/C15H15NO4/c1-11(16-15(17)18)19-13-9-5-6-10-14(13)20-12-7-3-2-4-8-12/h2-11,16H,1H3,(H,17,18)
InChIKeyNAKYJHKCUDOJBQ-UHFFFAOYSA-N
XLogP3.47
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenoxyphenoxy)ethylcarbamic acid?
The IUPAC name of 1-(2-phenoxyphenoxy)ethylcarbamic acid (CID 19775876) is 1-(2-phenoxyphenoxy)ethylcarbamic acid.
What is the SMILES notation for 1-(2-phenoxyphenoxy)ethylcarbamic acid?
The canonical SMILES for 1-(2-phenoxyphenoxy)ethylcarbamic acid is CC(NC(=O)O)Oc1ccccc1Oc1ccccc1.
What is the InChIKey of 1-(2-phenoxyphenoxy)ethylcarbamic acid?
The InChIKey is NAKYJHKCUDOJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-11(16-15(17)18)19-13-9-5-6-10-14(13)20-12-7-3-2-4-8-12/h2-11,16H,1H3,(H,17,18).
What are the key properties of 1-(2-phenoxyphenoxy)ethylcarbamic acid?
1-(2-phenoxyphenoxy)ethylcarbamic acid has a molecular weight of 273.29 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenoxyphenoxy)ethylcarbamic acid is sourced from PubChem (CID 19775876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).