[4-[2-(4-propylphenyl)ethyl]phenyl] prop-2-enoate

C20H22O2 — CID 70189649

IUPAC[4-[2-(4-propylphenyl)ethyl]phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccc(CCc2ccc(CCC)cc2)cc1
InChIInChI=1S/C20H22O2/c1-3-5-16-6-8-17(9-7-16)10-11-18-12-14-19(15-13-18)22-20(21)4-2/h4,6-9,12-15H,2-3,5,10-11H2,1H3
InChIKeyXUHGHWYLJTUINW-UHFFFAOYSA-N
MW294.39 g/mol
LogP4.52
Rot. Bonds7

About [4-[2-(4-propylphenyl)ethyl]phenyl] prop-2-enoate

[4-[2-(4-propylphenyl)ethyl]phenyl] prop-2-enoate (PubChem CID 70189649) has the molecular formula C20H22O2 and a molecular weight of 294.39 g/mol. Its IUPAC name is [4-[2-(4-propylphenyl)ethyl]phenyl] prop-2-enoate.

Molecular Properties

Compound Name[4-[2-(4-propylphenyl)ethyl]phenyl] prop-2-enoate
PubChem CID70189649
Molecular FormulaC20H22O2
Molecular Weight294.39 g/mol
Exact Mass294.16
IUPAC Name[4-[2-(4-propylphenyl)ethyl]phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccc(CCc2ccc(CCC)cc2)cc1
InChIInChI=1S/C20H22O2/c1-3-5-16-6-8-17(9-7-16)10-11-18-12-14-19(15-13-18)22-20(21)4-2/h4,6-9,12-15H,2-3,5,10-11H2,1H3
InChIKeyXUHGHWYLJTUINW-UHFFFAOYSA-N
XLogP4.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [4-[2-(4-propylphenyl)ethyl]phenyl] prop-2-enoate 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-butylphenyl) prop-2-enoate
CID 23635599
[4-[2-[3,5-di(prop-2-enoyloxy)phenyl]ethyl]phenyl] prop-2-enoate
CID 126633239
[4-[2-[6-[2-(4-prop-2-enoyloxyphenyl)ethyl]naphthalen-2-yl]ethyl]phenyl] prop-2-enoate
CID 121370037
[4-[2-(4-prop-2-enoyloxyphenyl)ethyl]phenyl] but-2-enoate
CID 174951659
(4-propylphenyl) 4-[2-(4-prop-2-enoyloxyphenyl)ethynyl]benzoate
CID 58987380
[4-(4-octylphenyl)phenyl] prop-2-enoate
CID 20751952
[4-[2-[3-methyl-4-[2-(4-prop-2-enoyloxyphenyl)ethyl]phenyl]ethyl]phenyl] prop-2-enoate
CID 121370026
[4-[4-[2-[4-(4-prop-2-enoyloxyphenyl)phenyl]ethyl]phenyl]phenyl] 2-methylprop-2-enoate
CID 155219900
[4-[2-(4-hexylphenyl)ethynyl]phenyl] prop-2-enoate
CID 145128079
[4-[2-[6-[2-(4-prop-2-enoyloxyphenyl)ethyl]naphthalen-2-yl]ethyl]phenyl] 2-methylprop-2-enoate
CID 89309007
[4-(2-oxoethyl)phenyl] prop-2-enoate
CID 141400952
tert-butyl 3-(4-prop-2-enoyloxyphenyl)propanoate
CID 68930141

Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-propylphenyl)ethyl]phenyl] prop-2-enoate?
The IUPAC name of [4-[2-(4-propylphenyl)ethyl]phenyl] prop-2-enoate (CID 70189649) is [4-[2-(4-propylphenyl)ethyl]phenyl] prop-2-enoate.
What is the SMILES notation for [4-[2-(4-propylphenyl)ethyl]phenyl] prop-2-enoate?
The canonical SMILES for [4-[2-(4-propylphenyl)ethyl]phenyl] prop-2-enoate is C=CC(=O)Oc1ccc(CCc2ccc(CCC)cc2)cc1.
What is the InChIKey of [4-[2-(4-propylphenyl)ethyl]phenyl] prop-2-enoate?
The InChIKey is XUHGHWYLJTUINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O2/c1-3-5-16-6-8-17(9-7-16)10-11-18-12-14-19(15-13-18)22-20(21)4-2/h4,6-9,12-15H,2-3,5,10-11H2,1H3.
What are the key properties of [4-[2-(4-propylphenyl)ethyl]phenyl] prop-2-enoate?
[4-[2-(4-propylphenyl)ethyl]phenyl] prop-2-enoate has a molecular weight of 294.39 g/mol, XLogP of 4.52, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-propylphenyl)ethyl]phenyl] prop-2-enoate is sourced from PubChem (CID 70189649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).