ethanol;phenylurea

C9H14N2O2 — CID 158950745

IUPACethanol;phenylurea
SMILESCCO.NC(=O)Nc1ccccc1
InChIInChI=1S/C7H8N2O.C2H6O/c8-7(10)9-6-4-2-1-3-5-6;1-2-3/h1-5H,(H3,8,9,10);3H,2H2,1H3
InChIKeyJLJWGUMFFYRGHE-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.18
Rot. Bonds1

About ethanol;phenylurea

ethanol;phenylurea (PubChem CID 158950745) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is ethanol;phenylurea.

Molecular Properties

Compound Nameethanol;phenylurea
PubChem CID158950745
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Nameethanol;phenylurea
SMILESCCO.NC(=O)Nc1ccccc1
InChIInChI=1S/C7H8N2O.C2H6O/c8-7(10)9-6-4-2-1-3-5-6;1-2-3/h1-5H,(H3,8,9,10);3H,2H2,1H3
InChIKeyJLJWGUMFFYRGHE-UHFFFAOYSA-N
XLogP1.18
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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[4-(propylamino)phenyl]urea
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ethane;methane;N-phenylpropanamide
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[4-[1-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]urea
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Frequently Asked Questions

What is the IUPAC name of ethanol;phenylurea?
The IUPAC name of ethanol;phenylurea (CID 158950745) is ethanol;phenylurea.
What is the SMILES notation for ethanol;phenylurea?
The canonical SMILES for ethanol;phenylurea is CCO.NC(=O)Nc1ccccc1.
What is the InChIKey of ethanol;phenylurea?
The InChIKey is JLJWGUMFFYRGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O.C2H6O/c8-7(10)9-6-4-2-1-3-5-6;1-2-3/h1-5H,(H3,8,9,10);3H,2H2,1H3.
What are the key properties of ethanol;phenylurea?
ethanol;phenylurea has a molecular weight of 182.22 g/mol, XLogP of 1.18, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;phenylurea is sourced from PubChem (CID 158950745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).