formaldehyde;phenyl 2-hydroxybenzoate

C14H12O4 — CID 70193884

IUPACformaldehyde;phenyl 2-hydroxybenzoate
SMILESC=O.O=C(Oc1ccccc1)c1ccccc1O
InChIInChI=1S/C13H10O3.CH2O/c14-12-9-5-4-8-11(12)13(15)16-10-6-2-1-3-7-10;1-2/h1-9,14H;1H2
InChIKeyVZJGZVDJNSUNDZ-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.43
Rot. Bonds2

About formaldehyde;phenyl 2-hydroxybenzoate

formaldehyde;phenyl 2-hydroxybenzoate (PubChem CID 70193884) has the molecular formula C14H12O4 and a molecular weight of 244.25 g/mol. Its IUPAC name is formaldehyde;phenyl 2-hydroxybenzoate.

Molecular Properties

Compound Nameformaldehyde;phenyl 2-hydroxybenzoate
PubChem CID70193884
Molecular FormulaC14H12O4
Molecular Weight244.25 g/mol
Exact Mass244.07
IUPAC Nameformaldehyde;phenyl 2-hydroxybenzoate
SMILESC=O.O=C(Oc1ccccc1)c1ccccc1O
InChIInChI=1S/C13H10O3.CH2O/c14-12-9-5-4-8-11(12)13(15)16-10-6-2-1-3-7-10;1-2/h1-9,14H;1H2
InChIKeyVZJGZVDJNSUNDZ-UHFFFAOYSA-N
XLogP2.43
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze formaldehyde;phenyl 2-hydroxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-hydroxybenzoic acid;phenyl 2-hydroxybenzoate;phenylmercury
CID 174770539
benzene-1,4-diol;tris(2-hydroxybenzoic acid);phenyl 2-hydroxybenzoate
CID 161221289
(4-phenylphenyl) 2-hydroxybenzoate
CID 19871808
phenyl 8-hydroxynaphthalene-1-carboxylate
CID 67908081
diphenyl benzene-1,2-dicarboxylate;phenol
CID 174922398
diphenyl 4,6-dihydroxybenzene-1,3-dicarboxylate
CID 154114345
phenyl 5-hydroxynaphthalene-1-carboxylate
CID 19766520
(3-hydroxyphenyl) benzoate;phenyl 2-hydroxybenzoate
CID 66771976
benzene-1,3-diol;diphenyl benzene-1,2-dicarboxylate
CID 174808310
phenyl 3-hydroxy-2-methoxybenzoate
CID 69024035
carbonic acid;methyl 2-hydroxybenzoate;phenyl hydrogen carbonate
CID 159882393
diphenyl benzene-1,2-dicarboxylate;trihydroxy(methyl)phosphanium
CID 158752634

Frequently Asked Questions

What is the IUPAC name of formaldehyde;phenyl 2-hydroxybenzoate?
The IUPAC name of formaldehyde;phenyl 2-hydroxybenzoate (CID 70193884) is formaldehyde;phenyl 2-hydroxybenzoate.
What is the SMILES notation for formaldehyde;phenyl 2-hydroxybenzoate?
The canonical SMILES for formaldehyde;phenyl 2-hydroxybenzoate is C=O.O=C(Oc1ccccc1)c1ccccc1O.
What is the InChIKey of formaldehyde;phenyl 2-hydroxybenzoate?
The InChIKey is VZJGZVDJNSUNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O3.CH2O/c14-12-9-5-4-8-11(12)13(15)16-10-6-2-1-3-7-10;1-2/h1-9,14H;1H2.
What are the key properties of formaldehyde;phenyl 2-hydroxybenzoate?
formaldehyde;phenyl 2-hydroxybenzoate has a molecular weight of 244.25 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;phenyl 2-hydroxybenzoate is sourced from PubChem (CID 70193884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).