[4-(2-hydroxyethyl)-3-(prop-2-enoyloxymethyl)phenyl] 4-propylbenzoate

C22H24O5 — CID 134193091

IUPAC[4-(2-hydroxyethyl)-3-(prop-2-enoyloxymethyl)phenyl] 4-propylbenzoate
SMILESC=CC(=O)OCc1cc(OC(=O)c2ccc(CCC)cc2)ccc1CCO
InChIInChI=1S/C22H24O5/c1-3-5-16-6-8-18(9-7-16)22(25)27-20-11-10-17(12-13-23)19(14-20)15-26-21(24)4-2/h4,6-11,14,23H,2-3,5,12-13,15H2,1H3
InChIKeyBFPOPHXJXGSMIQ-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.62
Rot. Bonds9

About [4-(2-hydroxyethyl)-3-(prop-2-enoyloxymethyl)phenyl] 4-propylbenzoate

[4-(2-hydroxyethyl)-3-(prop-2-enoyloxymethyl)phenyl] 4-propylbenzoate (PubChem CID 134193091) has the molecular formula C22H24O5 and a molecular weight of 368.43 g/mol. Its IUPAC name is [4-(2-hydroxyethyl)-3-(prop-2-enoyloxymethyl)phenyl] 4-propylbenzoate.

Molecular Properties

Compound Name[4-(2-hydroxyethyl)-3-(prop-2-enoyloxymethyl)phenyl] 4-propylbenzoate
PubChem CID134193091
Molecular FormulaC22H24O5
Molecular Weight368.43 g/mol
Exact Mass368.16
IUPAC Name[4-(2-hydroxyethyl)-3-(prop-2-enoyloxymethyl)phenyl] 4-propylbenzoate
SMILESC=CC(=O)OCc1cc(OC(=O)c2ccc(CCC)cc2)ccc1CCO
InChIInChI=1S/C22H24O5/c1-3-5-16-6-8-18(9-7-16)22(25)27-20-11-10-17(12-13-23)19(14-20)15-26-21(24)4-2/h4,6-11,14,23H,2-3,5,12-13,15H2,1H3
InChIKeyBFPOPHXJXGSMIQ-UHFFFAOYSA-N
XLogP3.62
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-[3-(prop-2-enoyloxymethyl)-4-[4-(4-propylbenzoyl)oxybenzoyl]oxyphenoxy]carbonylphenyl] 4-propylbenzoate
CID 134597376
[4-[4-(prop-2-enoyloxymethyl)benzoyl]oxyphenyl] 4-(prop-2-enoyloxymethyl)benzoate
CID 20718187
(4-propylphenyl) 4-[2-(4-prop-2-enoyloxyphenyl)ethynyl]benzoate
CID 58987380
2-[2-(2-hydroxyethyl)-5-(4-propylphenyl)phenyl]ethyl prop-2-enoate
CID 134193082
[4-[3-propyl-4-[4-(4-propylbenzoyl)oxybenzoyl]oxyphenoxy]carbonylphenyl] 4-propylbenzoate
CID 134472247
[4-(prop-2-enoyloxymethyl)phenyl] 4-[4-(prop-2-enoyloxymethyl)phenyl]benzoate
CID 58471422
[4-[2-(4-propylphenyl)ethynyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate
CID 118423674
[4-[2-(4-propylphenyl)ethyl]phenyl] prop-2-enoate
CID 70189649
[4-(2-prop-2-enoyloxyethyl)phenyl] 4-methoxybenzoate
CID 145097179
[4-(4-propylphenyl)phenyl] 4-propylbenzoate
CID 54214420
[4-[4-(3-prop-2-enoyloxypropoxy)benzoyl]oxyphenyl] 4-octylbenzoate
CID 118216311
ethane;[3-ethyl-4-[4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoyl]oxyphenyl] 4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate;propane
CID 144756810

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxyethyl)-3-(prop-2-enoyloxymethyl)phenyl] 4-propylbenzoate?
The IUPAC name of [4-(2-hydroxyethyl)-3-(prop-2-enoyloxymethyl)phenyl] 4-propylbenzoate (CID 134193091) is [4-(2-hydroxyethyl)-3-(prop-2-enoyloxymethyl)phenyl] 4-propylbenzoate.
What is the SMILES notation for [4-(2-hydroxyethyl)-3-(prop-2-enoyloxymethyl)phenyl] 4-propylbenzoate?
The canonical SMILES for [4-(2-hydroxyethyl)-3-(prop-2-enoyloxymethyl)phenyl] 4-propylbenzoate is C=CC(=O)OCc1cc(OC(=O)c2ccc(CCC)cc2)ccc1CCO.
What is the InChIKey of [4-(2-hydroxyethyl)-3-(prop-2-enoyloxymethyl)phenyl] 4-propylbenzoate?
The InChIKey is BFPOPHXJXGSMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O5/c1-3-5-16-6-8-18(9-7-16)22(25)27-20-11-10-17(12-13-23)19(14-20)15-26-21(24)4-2/h4,6-11,14,23H,2-3,5,12-13,15H2,1H3.
What are the key properties of [4-(2-hydroxyethyl)-3-(prop-2-enoyloxymethyl)phenyl] 4-propylbenzoate?
[4-(2-hydroxyethyl)-3-(prop-2-enoyloxymethyl)phenyl] 4-propylbenzoate has a molecular weight of 368.43 g/mol, XLogP of 3.62, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxyethyl)-3-(prop-2-enoyloxymethyl)phenyl] 4-propylbenzoate is sourced from PubChem (CID 134193091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).