formaldehyde;4-phenylbenzene-1,3-diol

C13H12O3 — CID 174408267

IUPACformaldehyde;4-phenylbenzene-1,3-diol
SMILESC=O.Oc1ccc(-c2ccccc2)c(O)c1
InChIInChI=1S/C12H10O2.CH2O/c13-10-6-7-11(12(14)8-10)9-4-2-1-3-5-9;1-2/h1-8,13-14H;1H2
InChIKeySAVILYUANXGLID-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.58
Rot. Bonds1

About formaldehyde;4-phenylbenzene-1,3-diol

formaldehyde;4-phenylbenzene-1,3-diol (PubChem CID 174408267) has the molecular formula C13H12O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is formaldehyde;4-phenylbenzene-1,3-diol.

Molecular Properties

Compound Nameformaldehyde;4-phenylbenzene-1,3-diol
PubChem CID174408267
Molecular FormulaC13H12O3
Molecular Weight216.24 g/mol
Exact Mass216.08
IUPAC Nameformaldehyde;4-phenylbenzene-1,3-diol
SMILESC=O.Oc1ccc(-c2ccccc2)c(O)c1
InChIInChI=1S/C12H10O2.CH2O/c13-10-6-7-11(12(14)8-10)9-4-2-1-3-5-9;1-2/h1-8,13-14H;1H2
InChIKeySAVILYUANXGLID-UHFFFAOYSA-N
XLogP2.58
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of formaldehyde;4-phenylbenzene-1,3-diol?
The IUPAC name of formaldehyde;4-phenylbenzene-1,3-diol (CID 174408267) is formaldehyde;4-phenylbenzene-1,3-diol.
What is the SMILES notation for formaldehyde;4-phenylbenzene-1,3-diol?
The canonical SMILES for formaldehyde;4-phenylbenzene-1,3-diol is C=O.Oc1ccc(-c2ccccc2)c(O)c1.
What is the InChIKey of formaldehyde;4-phenylbenzene-1,3-diol?
The InChIKey is SAVILYUANXGLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O2.CH2O/c13-10-6-7-11(12(14)8-10)9-4-2-1-3-5-9;1-2/h1-8,13-14H;1H2.
What are the key properties of formaldehyde;4-phenylbenzene-1,3-diol?
formaldehyde;4-phenylbenzene-1,3-diol has a molecular weight of 216.24 g/mol, XLogP of 2.58, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;4-phenylbenzene-1,3-diol is sourced from PubChem (CID 174408267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).