benzene-1,3-diol;formaldehyde;2-phenylphenol

C19H18O4 — CID 174593053

IUPACbenzene-1,3-diol;formaldehyde;2-phenylphenol
SMILESC=O.Oc1cccc(O)c1.Oc1ccccc1-c1ccccc1
InChIInChI=1S/C12H10O.C6H6O2.CH2O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;7-5-2-1-3-6(8)4-5;1-2/h1-9,13H;1-4,7-8H;1H2
InChIKeyJOOPISBFSVNTNU-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.97
Rot. Bonds1

About benzene-1,3-diol;formaldehyde;2-phenylphenol

benzene-1,3-diol;formaldehyde;2-phenylphenol (PubChem CID 174593053) has the molecular formula C19H18O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is benzene-1,3-diol;formaldehyde;2-phenylphenol.

Molecular Properties

Compound Namebenzene-1,3-diol;formaldehyde;2-phenylphenol
PubChem CID174593053
Molecular FormulaC19H18O4
Molecular Weight310.35 g/mol
Exact Mass310.12
IUPAC Namebenzene-1,3-diol;formaldehyde;2-phenylphenol
SMILESC=O.Oc1cccc(O)c1.Oc1ccccc1-c1ccccc1
InChIInChI=1S/C12H10O.C6H6O2.CH2O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;7-5-2-1-3-6(8)4-5;1-2/h1-9,13H;1-4,7-8H;1H2
InChIKeyJOOPISBFSVNTNU-UHFFFAOYSA-N
XLogP3.97
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

formaldehyde;4-phenylbenzene-1,3-diol
CID 174408267
2-(2-hydroxyphenyl)phenol;4-phenylbenzene-1,3-diol
CID 69274449
bis(benzene-1,3-diol);formaldehyde
CID 174734201
oxalic acid;2-phenylphenol
CID 162319962
carbanide;2-phenylphenol;titanium(3+)
CID 59317555
benzene-1,3-diol;formaldehyde;silver
CID 174852688
azulene-1,5-diol
CID 71327638
sodium;hydrogen carbonate;2-phenylphenol
CID 175078237
benzene-1,3-diol;phenol
CID 23218590
sodium;hydride;2-phenylphenol;4-phenylphenol
CID 173165495
2-[4-[2-[4-[2-[4-(2-hydroxyphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenol
CID 102334535
2-[4-[4-(2-hydroxyphenyl)phenyl]phenyl]phenol
CID 122655811

Frequently Asked Questions

What is the IUPAC name of benzene-1,3-diol;formaldehyde;2-phenylphenol?
The IUPAC name of benzene-1,3-diol;formaldehyde;2-phenylphenol (CID 174593053) is benzene-1,3-diol;formaldehyde;2-phenylphenol.
What is the SMILES notation for benzene-1,3-diol;formaldehyde;2-phenylphenol?
The canonical SMILES for benzene-1,3-diol;formaldehyde;2-phenylphenol is C=O.Oc1cccc(O)c1.Oc1ccccc1-c1ccccc1.
What is the InChIKey of benzene-1,3-diol;formaldehyde;2-phenylphenol?
The InChIKey is JOOPISBFSVNTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O.C6H6O2.CH2O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;7-5-2-1-3-6(8)4-5;1-2/h1-9,13H;1-4,7-8H;1H2.
What are the key properties of benzene-1,3-diol;formaldehyde;2-phenylphenol?
benzene-1,3-diol;formaldehyde;2-phenylphenol has a molecular weight of 310.35 g/mol, XLogP of 3.97, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,3-diol;formaldehyde;2-phenylphenol is sourced from PubChem (CID 174593053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).