cyanic acid;4-methoxyphenol

C8H9NO3 — CID 172812844

IUPACcyanic acid;4-methoxyphenol
SMILESCOc1ccc(O)cc1.N#CO
InChIInChI=1S/C7H8O2.CHNO/c1-9-7-4-2-6(8)3-5-7;2-1-3/h2-5,8H,1H3;3H
InChIKeySKMJEIUOKAZCQN-UHFFFAOYSA-N
MW167.16 g/mol
LogP1.24
Rot. Bonds1

About cyanic acid;4-methoxyphenol

cyanic acid;4-methoxyphenol (PubChem CID 172812844) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is cyanic acid;4-methoxyphenol.

Molecular Properties

Compound Namecyanic acid;4-methoxyphenol
PubChem CID172812844
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Namecyanic acid;4-methoxyphenol
SMILESCOc1ccc(O)cc1.N#CO
InChIInChI=1S/C7H8O2.CHNO/c1-9-7-4-2-6(8)3-5-7;2-1-3/h2-5,8H,1H3;3H
InChIKeySKMJEIUOKAZCQN-UHFFFAOYSA-N
XLogP1.24
TPSA73.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Related Compounds

methane;4-methoxyphenol
CID 159494332
bis(4-methoxyphenol);zirconium(2+);dichloride
CID 172849740
ethane;4-(4-methoxyphenyl)phenol
CID 161219857
anisole;cyanic acid
CID 174663500
benzene-1,2-diol;4-methoxyphenol
CID 70292826
4-methoxyphenol;4-methylphenol
CID 158312507
2-[(4-hydroxyphenyl)methylidene]-3-[(4-methoxyphenyl)methylidene]butanedinitrile
CID 85101046
4-[(E)-3-(4-methoxyphenyl)but-2-en-2-yl]phenol
CID 71251039
4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)ethyl]phenol
CID 19875161
1-methoxy-4-phenylbenzene;4-(4-methoxyphenyl)phenol
CID 69347648
ethane;4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)ethyl]phenol
CID 91273565
4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)ethyl]phenol;tungsten
CID 158462536

Frequently Asked Questions

What is the IUPAC name of cyanic acid;4-methoxyphenol?
The IUPAC name of cyanic acid;4-methoxyphenol (CID 172812844) is cyanic acid;4-methoxyphenol.
What is the SMILES notation for cyanic acid;4-methoxyphenol?
The canonical SMILES for cyanic acid;4-methoxyphenol is COc1ccc(O)cc1.N#CO.
What is the InChIKey of cyanic acid;4-methoxyphenol?
The InChIKey is SKMJEIUOKAZCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2.CHNO/c1-9-7-4-2-6(8)3-5-7;2-1-3/h2-5,8H,1H3;3H.
What are the key properties of cyanic acid;4-methoxyphenol?
cyanic acid;4-methoxyphenol has a molecular weight of 167.16 g/mol, XLogP of 1.24, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyanic acid;4-methoxyphenol is sourced from PubChem (CID 172812844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).