4-methylphenol;methylurea

C9H14N2O2 — CID 70615521

IUPAC4-methylphenol;methylurea
SMILESCNC(N)=O.Cc1ccc(O)cc1
InChIInChI=1S/C7H8O.C2H6N2O/c1-6-2-4-7(8)5-3-6;1-4-2(3)5/h2-5,8H,1H3;1H3,(H3,3,4,5)
InChIKeyJOWSPISFUXZPPW-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.99
Rot. Bonds

About 4-methylphenol;methylurea

4-methylphenol;methylurea (PubChem CID 70615521) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 4-methylphenol;methylurea.

Molecular Properties

Compound Name4-methylphenol;methylurea
PubChem CID70615521
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name4-methylphenol;methylurea
SMILESCNC(N)=O.Cc1ccc(O)cc1
InChIInChI=1S/C7H8O.C2H6N2O/c1-6-2-4-7(8)5-3-6;1-4-2(3)5/h2-5,8H,1H3;1H3,(H3,3,4,5)
InChIKeyJOWSPISFUXZPPW-UHFFFAOYSA-N
XLogP0.99
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methylphenol;methylurea?
The IUPAC name of 4-methylphenol;methylurea (CID 70615521) is 4-methylphenol;methylurea.
What is the SMILES notation for 4-methylphenol;methylurea?
The canonical SMILES for 4-methylphenol;methylurea is CNC(N)=O.Cc1ccc(O)cc1.
What is the InChIKey of 4-methylphenol;methylurea?
The InChIKey is JOWSPISFUXZPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O.C2H6N2O/c1-6-2-4-7(8)5-3-6;1-4-2(3)5/h2-5,8H,1H3;1H3,(H3,3,4,5).
What are the key properties of 4-methylphenol;methylurea?
4-methylphenol;methylurea has a molecular weight of 182.22 g/mol, XLogP of 0.99, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylphenol;methylurea is sourced from PubChem (CID 70615521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).