[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] 2-hydroxybenzoate

C22H20O4 — CID 54208254

IUPAC[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] 2-hydroxybenzoate
SMILESCC(C)(c1ccc(O)cc1)c1ccc(OC(=O)c2ccccc2O)cc1
InChIInChI=1S/C22H20O4/c1-22(2,15-7-11-17(23)12-8-15)16-9-13-18(14-10-16)26-21(25)19-5-3-4-6-20(19)24/h3-14,23-24H,1-2H3
InChIKeyPUBSRVPFCMWZPZ-UHFFFAOYSA-N
MW348.40 g/mol
LogP4.64
Rot. Bonds4

About [4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] 2-hydroxybenzoate

[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] 2-hydroxybenzoate (PubChem CID 54208254) has the molecular formula C22H20O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is [4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] 2-hydroxybenzoate.

Molecular Properties

Compound Name[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] 2-hydroxybenzoate
PubChem CID54208254
Molecular FormulaC22H20O4
Molecular Weight348.40 g/mol
Exact Mass348.14
IUPAC Name[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] 2-hydroxybenzoate
SMILESCC(C)(c1ccc(O)cc1)c1ccc(OC(=O)c2ccccc2O)cc1
InChIInChI=1S/C22H20O4/c1-22(2,15-7-11-17(23)12-8-15)16-9-13-18(14-10-16)26-21(25)19-5-3-4-6-20(19)24/h3-14,23-24H,1-2H3
InChIKeyPUBSRVPFCMWZPZ-UHFFFAOYSA-N
XLogP4.64
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] 2-hydroxybenzoate?
The IUPAC name of [4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] 2-hydroxybenzoate (CID 54208254) is [4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] 2-hydroxybenzoate.
What is the SMILES notation for [4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] 2-hydroxybenzoate?
The canonical SMILES for [4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] 2-hydroxybenzoate is CC(C)(c1ccc(O)cc1)c1ccc(OC(=O)c2ccccc2O)cc1.
What is the InChIKey of [4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] 2-hydroxybenzoate?
The InChIKey is PUBSRVPFCMWZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O4/c1-22(2,15-7-11-17(23)12-8-15)16-9-13-18(14-10-16)26-21(25)19-5-3-4-6-20(19)24/h3-14,23-24H,1-2H3.
What are the key properties of [4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] 2-hydroxybenzoate?
[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] 2-hydroxybenzoate has a molecular weight of 348.40 g/mol, XLogP of 4.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] 2-hydroxybenzoate is sourced from PubChem (CID 54208254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).