phenyl 4-hydroxy-2-propylbenzoate

C16H16O3 — CID 70366089

IUPACphenyl 4-hydroxy-2-propylbenzoate
SMILESCCCc1cc(O)ccc1C(=O)Oc1ccccc1
InChIInChI=1S/C16H16O3/c1-2-6-12-11-13(17)9-10-15(12)16(18)19-14-7-4-3-5-8-14/h3-5,7-11,17H,2,6H2,1H3
InChIKeyPEYKVKIKUDSSID-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.56
Rot. Bonds4

About phenyl 4-hydroxy-2-propylbenzoate

phenyl 4-hydroxy-2-propylbenzoate (PubChem CID 70366089) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is phenyl 4-hydroxy-2-propylbenzoate.

Molecular Properties

Compound Namephenyl 4-hydroxy-2-propylbenzoate
PubChem CID70366089
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Namephenyl 4-hydroxy-2-propylbenzoate
SMILESCCCc1cc(O)ccc1C(=O)Oc1ccccc1
InChIInChI=1S/C16H16O3/c1-2-6-12-11-13(17)9-10-15(12)16(18)19-14-7-4-3-5-8-14/h3-5,7-11,17H,2,6H2,1H3
InChIKeyPEYKVKIKUDSSID-UHFFFAOYSA-N
XLogP3.56
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze phenyl 4-hydroxy-2-propylbenzoate 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

phenyl 2-butyl-4-hydroxybenzoate
CID 174424023
ethyl 4-hydroxy-2-propylbenzoate
CID 66937592
phenyl 2-butylbenzoate
CID 22439993
4-hydroxy-2-methylbenzoic acid;4-hydroxy-2-propylbenzoic acid
CID 70586681
benzene-1,3-diol;diphenyl benzene-1,2-dicarboxylate
CID 174808310
sodium;4-hydroxy-2-propylbenzoate;trihydrate
CID 67564094
(4-pentylphenyl) 2-propylbenzoate
CID 135341256
4-(2-propylbenzoyl)oxybenzenesulfonic acid
CID 56636055
diphenyl benzene-1,2-dicarboxylate;phenol
CID 174922398
diphenyl 4,6-dihydroxybenzene-1,3-dicarboxylate
CID 154114345
hexa-2,4-dienoic acid;4-hydroxy-2-propylbenzoic acid
CID 173480280
5-hydroxy-2-propylbenzoic acid
CID 23105136

Frequently Asked Questions

What is the IUPAC name of phenyl 4-hydroxy-2-propylbenzoate?
The IUPAC name of phenyl 4-hydroxy-2-propylbenzoate (CID 70366089) is phenyl 4-hydroxy-2-propylbenzoate.
What is the SMILES notation for phenyl 4-hydroxy-2-propylbenzoate?
The canonical SMILES for phenyl 4-hydroxy-2-propylbenzoate is CCCc1cc(O)ccc1C(=O)Oc1ccccc1.
What is the InChIKey of phenyl 4-hydroxy-2-propylbenzoate?
The InChIKey is PEYKVKIKUDSSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-2-6-12-11-13(17)9-10-15(12)16(18)19-14-7-4-3-5-8-14/h3-5,7-11,17H,2,6H2,1H3.
What are the key properties of phenyl 4-hydroxy-2-propylbenzoate?
phenyl 4-hydroxy-2-propylbenzoate has a molecular weight of 256.30 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 4-hydroxy-2-propylbenzoate is sourced from PubChem (CID 70366089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).