cinnoline;phenol

C14H12N2O — CID 174264955

IUPACcinnoline;phenol
SMILESOc1ccccc1.c1ccc2nnccc2c1
InChIInChI=1S/C8H6N2.C6H6O/c1-2-4-8-7(3-1)5-6-9-10-8;7-6-4-2-1-3-5-6/h1-6H;1-5,7H
InChIKeyJWXSEKRQDUCDHN-UHFFFAOYSA-N
MW224.26 g/mol
LogP3.02
Rot. Bonds

About cinnoline;phenol

cinnoline;phenol (PubChem CID 174264955) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is cinnoline;phenol.

Molecular Properties

Compound Namecinnoline;phenol
PubChem CID174264955
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Namecinnoline;phenol
SMILESOc1ccccc1.c1ccc2nnccc2c1
InChIInChI=1S/C8H6N2.C6H6O/c1-2-4-8-7(3-1)5-6-9-10-8;7-6-4-2-1-3-5-6/h1-6H;1-5,7H
InChIKeyJWXSEKRQDUCDHN-UHFFFAOYSA-N
XLogP3.02
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclodeca[c]pyridazine
CID 68549169
cinnoline;hydroiodide
CID 174664707
cinnoline;hydrochloride
CID 175461371
benzo[c]cinnoline;cinnoline
CID 70561425
cinnoline;ethoxyethane
CID 122673092
cinnoline;isoquinoline;phthalazine
CID 142014837
tetrakis(benzene-1,4-diol);quinoline
CID 174523855
phenol;chloride
CID 23313261
phenol;bis(yttrium)
CID 59089942
anthracene;benzene;naphthalene;phenol
CID 174822165
phenol;quinoxaline;hydrate
CID 174252210
phenol;bis(yttrium);dihydrate
CID 168770922

Frequently Asked Questions

What is the IUPAC name of cinnoline;phenol?
The IUPAC name of cinnoline;phenol (CID 174264955) is cinnoline;phenol.
What is the SMILES notation for cinnoline;phenol?
The canonical SMILES for cinnoline;phenol is Oc1ccccc1.c1ccc2nnccc2c1.
What is the InChIKey of cinnoline;phenol?
The InChIKey is JWXSEKRQDUCDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2.C6H6O/c1-2-4-8-7(3-1)5-6-9-10-8;7-6-4-2-1-3-5-6/h1-6H;1-5,7H.
What are the key properties of cinnoline;phenol?
cinnoline;phenol has a molecular weight of 224.26 g/mol, XLogP of 3.02, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cinnoline;phenol is sourced from PubChem (CID 174264955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).