[4-[1-(4-hydroxyphenyl)ethyl]phenyl] 4-formylbenzoate

C22H18O4 — CID 89068423

IUPAC[4-[1-(4-hydroxyphenyl)ethyl]phenyl] 4-formylbenzoate
SMILESCC(c1ccc(O)cc1)c1ccc(OC(=O)c2ccc(C=O)cc2)cc1
InChIInChI=1S/C22H18O4/c1-15(17-6-10-20(24)11-7-17)18-8-12-21(13-9-18)26-22(25)19-4-2-16(14-23)3-5-19/h2-15,24H,1H3
InChIKeyWLWXTGSVAFRZFV-UHFFFAOYSA-N
MW346.38 g/mol
LogP4.58
Rot. Bonds5

About [4-[1-(4-hydroxyphenyl)ethyl]phenyl] 4-formylbenzoate

[4-[1-(4-hydroxyphenyl)ethyl]phenyl] 4-formylbenzoate (PubChem CID 89068423) has the molecular formula C22H18O4 and a molecular weight of 346.38 g/mol. Its IUPAC name is [4-[1-(4-hydroxyphenyl)ethyl]phenyl] 4-formylbenzoate.

Molecular Properties

Compound Name[4-[1-(4-hydroxyphenyl)ethyl]phenyl] 4-formylbenzoate
PubChem CID89068423
Molecular FormulaC22H18O4
Molecular Weight346.38 g/mol
Exact Mass346.12
IUPAC Name[4-[1-(4-hydroxyphenyl)ethyl]phenyl] 4-formylbenzoate
SMILESCC(c1ccc(O)cc1)c1ccc(OC(=O)c2ccc(C=O)cc2)cc1
InChIInChI=1S/C22H18O4/c1-15(17-6-10-20(24)11-7-17)18-8-12-21(13-9-18)26-22(25)19-4-2-16(14-23)3-5-19/h2-15,24H,1H3
InChIKeyWLWXTGSVAFRZFV-UHFFFAOYSA-N
XLogP4.58
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [4-[1-(4-hydroxyphenyl)ethyl]phenyl] 4-formylbenzoate 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

[4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenyl] 4-formylbenzoate
CID 88952563
[4-[1-(4-hydroxyphenyl)ethyl]phenyl] 1-methylidene-3-oxo-2-benzofuran-5-carboxylate
CID 142022090
(4-methoxyphenyl) 4-hydroxybenzoate
CID 578384
[4-[4-(4-hydroxybenzoyl)oxybenzoyl]phenyl] 4-hydroxybenzoate
CID 121312948
(4-methylphenyl) 4-[(4-formylphenyl)diazenyl]benzoate
CID 145376836
(4-formylphenyl) 4-(4-methylphenyl)benzoate;4-(4-methylphenyl)benzoic acid
CID 159902249
(4-formylphenyl) 4-[(2S)-heptan-2-yl]oxybenzoate
CID 54148276
(4-hydroxyphenyl) 4-carboxyoxybenzoate
CID 126668327
[4-[(4-hydroxyphenyl)iminomethyl]phenyl] 4-hydroxybenzoate
CID 102453857
4-hydroxybenzaldehyde;propan-2-ol
CID 18939132
(4-ethylphenyl) 4-propan-2-ylbenzoate
CID 1406527
(4-pentylphenyl) 4-formylbenzoate
CID 14085632

Frequently Asked Questions

What is the IUPAC name of [4-[1-(4-hydroxyphenyl)ethyl]phenyl] 4-formylbenzoate?
The IUPAC name of [4-[1-(4-hydroxyphenyl)ethyl]phenyl] 4-formylbenzoate (CID 89068423) is [4-[1-(4-hydroxyphenyl)ethyl]phenyl] 4-formylbenzoate.
What is the SMILES notation for [4-[1-(4-hydroxyphenyl)ethyl]phenyl] 4-formylbenzoate?
The canonical SMILES for [4-[1-(4-hydroxyphenyl)ethyl]phenyl] 4-formylbenzoate is CC(c1ccc(O)cc1)c1ccc(OC(=O)c2ccc(C=O)cc2)cc1.
What is the InChIKey of [4-[1-(4-hydroxyphenyl)ethyl]phenyl] 4-formylbenzoate?
The InChIKey is WLWXTGSVAFRZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O4/c1-15(17-6-10-20(24)11-7-17)18-8-12-21(13-9-18)26-22(25)19-4-2-16(14-23)3-5-19/h2-15,24H,1H3.
What are the key properties of [4-[1-(4-hydroxyphenyl)ethyl]phenyl] 4-formylbenzoate?
[4-[1-(4-hydroxyphenyl)ethyl]phenyl] 4-formylbenzoate has a molecular weight of 346.38 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(4-hydroxyphenyl)ethyl]phenyl] 4-formylbenzoate is sourced from PubChem (CID 89068423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).