cyanic acid;4-[1-(4-hydroxyphenyl)ethyl]phenol

C16H16N2O4 — CID 68900127

IUPACcyanic acid;4-[1-(4-hydroxyphenyl)ethyl]phenol
SMILESCC(c1ccc(O)cc1)c1ccc(O)cc1.N#CO.N#CO
InChIInChI=1S/C14H14O2.2CHNO/c1-10(11-2-6-13(15)7-3-11)12-4-8-14(16)9-5-12;2*2-1-3/h2-10,15-16H,1H3;2*3H
InChIKeyJHQPJHHMCKLXIR-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.93
Rot. Bonds2

About cyanic acid;4-[1-(4-hydroxyphenyl)ethyl]phenol

cyanic acid;4-[1-(4-hydroxyphenyl)ethyl]phenol (PubChem CID 68900127) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is cyanic acid;4-[1-(4-hydroxyphenyl)ethyl]phenol.

Molecular Properties

Compound Namecyanic acid;4-[1-(4-hydroxyphenyl)ethyl]phenol
PubChem CID68900127
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Namecyanic acid;4-[1-(4-hydroxyphenyl)ethyl]phenol
SMILESCC(c1ccc(O)cc1)c1ccc(O)cc1.N#CO.N#CO
InChIInChI=1S/C14H14O2.2CHNO/c1-10(11-2-6-13(15)7-3-11)12-4-8-14(16)9-5-12;2*2-1-3/h2-10,15-16H,1H3;2*3H
InChIKeyJHQPJHHMCKLXIR-UHFFFAOYSA-N
XLogP2.93
TPSA128.50 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[1-(4-hydroxyphenyl)ethyl]phenol
CID 608116
4-[1-(4-methylphenyl)ethyl]phenol
CID 23036862
4-[(1R)-1-fluoroethyl]phenol
CID 124547590
4-[1-(4-isocyanatophenyl)ethyl]phenol
CID 89017221
methane;4-propan-2-ylphenol
CID 159328733
cyanic acid;4-methoxyphenol
CID 172812844
2-tert-butyl-4-[1-(4-hydroxyphenyl)ethyl]phenol
CID 87504919
4-[(1S,2S)-2-amino-1-hydroxypropyl]phenol;hydrochloride
CID 90673533
CID 174824648
CID 174824648
4-[(4-hydroxyphenyl)-(4-propan-2-ylphenyl)methyl]phenol
CID 22648594
4-[(1R)-1-aminoethyl]phenol;hydrochloride
CID 127264624
2-(4-hydroxyphenyl)-2-(2-methylpropylamino)acetonitrile
CID 61005792

Frequently Asked Questions

What is the IUPAC name of cyanic acid;4-[1-(4-hydroxyphenyl)ethyl]phenol?
The IUPAC name of cyanic acid;4-[1-(4-hydroxyphenyl)ethyl]phenol (CID 68900127) is cyanic acid;4-[1-(4-hydroxyphenyl)ethyl]phenol.
What is the SMILES notation for cyanic acid;4-[1-(4-hydroxyphenyl)ethyl]phenol?
The canonical SMILES for cyanic acid;4-[1-(4-hydroxyphenyl)ethyl]phenol is CC(c1ccc(O)cc1)c1ccc(O)cc1.N#CO.N#CO.
What is the InChIKey of cyanic acid;4-[1-(4-hydroxyphenyl)ethyl]phenol?
The InChIKey is JHQPJHHMCKLXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2.2CHNO/c1-10(11-2-6-13(15)7-3-11)12-4-8-14(16)9-5-12;2*2-1-3/h2-10,15-16H,1H3;2*3H.
What are the key properties of cyanic acid;4-[1-(4-hydroxyphenyl)ethyl]phenol?
cyanic acid;4-[1-(4-hydroxyphenyl)ethyl]phenol has a molecular weight of 300.31 g/mol, XLogP of 2.93, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyanic acid;4-[1-(4-hydroxyphenyl)ethyl]phenol is sourced from PubChem (CID 68900127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).