benzene-1,3-diol;phenol

C18H18O4 — CID 23218590

IUPACbenzene-1,3-diol;phenol
SMILESOc1cccc(O)c1.Oc1ccccc1.Oc1ccccc1
InChIInChI=1S/C6H6O2.2C6H6O/c7-5-2-1-3-6(8)4-5;2*7-6-4-2-1-3-5-6/h1-4,7-8H;2*1-5,7H
InChIKeyGREFHIDGEPDFSX-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.88
Rot. Bonds

About benzene-1,3-diol;phenol

benzene-1,3-diol;phenol (PubChem CID 23218590) has the molecular formula C18H18O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is benzene-1,3-diol;phenol.

Molecular Properties

Compound Namebenzene-1,3-diol;phenol
PubChem CID23218590
Molecular FormulaC18H18O4
Molecular Weight298.34 g/mol
Exact Mass298.12
IUPAC Namebenzene-1,3-diol;phenol
SMILESOc1cccc(O)c1.Oc1ccccc1.Oc1ccccc1
InChIInChI=1S/C6H6O2.2C6H6O/c7-5-2-1-3-6(8)4-5;2*7-6-4-2-1-3-5-6/h1-4,7-8H;2*1-5,7H
InChIKeyGREFHIDGEPDFSX-UHFFFAOYSA-N
XLogP3.88
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

bis(benzene-1,3-diol);hydrate
CID 174320343
bis(benzene-1,3-diol);methane
CID 70633400
benzene-1,3-diol;tris(yttrium)
CID 23386139
benzene-1,3-diol;bis(rutherfordium)
CID 140661178
magnesium;benzene-1,3-diol;oxygen(2-)
CID 158172570
CID 159904044
CID 159904044
aluminum phenol
CID 19023057
molybdenum;phenol
CID 154246724
argon;phenol
CID 159678450
phenol;phosphane
CID 159689182
CID 67496590
CID 67496590
phenol;tantalum
CID 19915613

Frequently Asked Questions

What is the IUPAC name of benzene-1,3-diol;phenol?
The IUPAC name of benzene-1,3-diol;phenol (CID 23218590) is benzene-1,3-diol;phenol.
What is the SMILES notation for benzene-1,3-diol;phenol?
The canonical SMILES for benzene-1,3-diol;phenol is Oc1cccc(O)c1.Oc1ccccc1.Oc1ccccc1.
What is the InChIKey of benzene-1,3-diol;phenol?
The InChIKey is GREFHIDGEPDFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O2.2C6H6O/c7-5-2-1-3-6(8)4-5;2*7-6-4-2-1-3-5-6/h1-4,7-8H;2*1-5,7H.
What are the key properties of benzene-1,3-diol;phenol?
benzene-1,3-diol;phenol has a molecular weight of 298.34 g/mol, XLogP of 3.88, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,3-diol;phenol is sourced from PubChem (CID 23218590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).