[4-[3-(4-propylphenyl)pentyl]phenyl] 2-methylprop-2-enoate

C24H30O2 — CID 57056990

IUPAC[4-[3-(4-propylphenyl)pentyl]phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(CCC(CC)c2ccc(CCC)cc2)cc1
InChIInChI=1S/C24H30O2/c1-5-7-19-9-14-22(15-10-19)21(6-2)13-8-20-11-16-23(17-12-20)26-24(25)18(3)4/h9-12,14-17,21H,3,5-8,13H2,1-2,4H3
InChIKeyORCHFTVTFSLEDC-UHFFFAOYSA-N
MW350.50 g/mol
LogP6.25
Rot. Bonds9

About [4-[3-(4-propylphenyl)pentyl]phenyl] 2-methylprop-2-enoate

[4-[3-(4-propylphenyl)pentyl]phenyl] 2-methylprop-2-enoate (PubChem CID 57056990) has the molecular formula C24H30O2 and a molecular weight of 350.50 g/mol. Its IUPAC name is [4-[3-(4-propylphenyl)pentyl]phenyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[4-[3-(4-propylphenyl)pentyl]phenyl] 2-methylprop-2-enoate
PubChem CID57056990
Molecular FormulaC24H30O2
Molecular Weight350.50 g/mol
Exact Mass350.22
IUPAC Name[4-[3-(4-propylphenyl)pentyl]phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(CCC(CC)c2ccc(CCC)cc2)cc1
InChIInChI=1S/C24H30O2/c1-5-7-19-9-14-22(15-10-19)21(6-2)13-8-20-11-16-23(17-12-20)26-24(25)18(3)4/h9-12,14-17,21H,3,5-8,13H2,1-2,4H3
InChIKeyORCHFTVTFSLEDC-UHFFFAOYSA-N
XLogP6.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.50
LogP ≤ 56.25
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'}

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Related Compounds

(4-pentan-2-ylphenyl) 2-methylprop-2-enoate
CID 89171123
1-(4-propylphenyl)propyl 2-methylprop-2-enoate
CID 174497650
[4-[[4-[bis[4-(2-methylprop-2-enoyloxy)phenyl]methyl]phenyl]-[4-(2-methylprop-2-enoyloxy)phenyl]methyl]phenyl] 2-methylprop-2-enoate
CID 169009058
[4-[4-(4-octylphenyl)phenyl]phenyl] 2-methylprop-2-enoate
CID 159911565
[4-(hydroxymethyl)phenyl] 2-methylprop-2-enoate
CID 18459584
[4-[2-[6-[2-(4-prop-2-enoyloxyphenyl)ethyl]naphthalen-2-yl]ethyl]phenyl] 2-methylprop-2-enoate
CID 89309007
1,3-bis(4-propylphenoxy)propan-2-yl 2-methylprop-2-enoate
CID 134322515
[4-[4-(2-methylprop-2-enoyloxy)-2-propylphenyl]phenyl] 2-methylprop-2-enoate
CID 154596457
(4-ethoxyphenyl) 2-methylprop-2-enoate
CID 54374861
[4-[2-[4-[2-[4-(2-methylprop-2-enoyloxy)phenyl]ethyl]naphthalen-1-yl]ethyl]phenyl] 2-methylprop-2-enoate
CID 121370036
[4-[4-[2-[4-(4-prop-2-enoyloxyphenyl)phenyl]ethyl]phenyl]phenyl] 2-methylprop-2-enoate
CID 155219900
[4-[2-[4-[2-ethyl-4-[4-hydroxy-3-(hydroxymethyl)butyl]phenyl]-3-fluorophenyl]ethyl]phenyl] 2-methylprop-2-enoate
CID 135252213

Frequently Asked Questions

What is the IUPAC name of [4-[3-(4-propylphenyl)pentyl]phenyl] 2-methylprop-2-enoate?
The IUPAC name of [4-[3-(4-propylphenyl)pentyl]phenyl] 2-methylprop-2-enoate (CID 57056990) is [4-[3-(4-propylphenyl)pentyl]phenyl] 2-methylprop-2-enoate.
What is the SMILES notation for [4-[3-(4-propylphenyl)pentyl]phenyl] 2-methylprop-2-enoate?
The canonical SMILES for [4-[3-(4-propylphenyl)pentyl]phenyl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1ccc(CCC(CC)c2ccc(CCC)cc2)cc1.
What is the InChIKey of [4-[3-(4-propylphenyl)pentyl]phenyl] 2-methylprop-2-enoate?
The InChIKey is ORCHFTVTFSLEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O2/c1-5-7-19-9-14-22(15-10-19)21(6-2)13-8-20-11-16-23(17-12-20)26-24(25)18(3)4/h9-12,14-17,21H,3,5-8,13H2,1-2,4H3.
What are the key properties of [4-[3-(4-propylphenyl)pentyl]phenyl] 2-methylprop-2-enoate?
[4-[3-(4-propylphenyl)pentyl]phenyl] 2-methylprop-2-enoate has a molecular weight of 350.50 g/mol, XLogP of 6.25, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(4-propylphenyl)pentyl]phenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 57056990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).