1-(4-propylphenyl)propyl 2-methylprop-2-enoate

C16H22O2 — CID 174497650

IUPAC1-(4-propylphenyl)propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CC)c1ccc(CCC)cc1
InChIInChI=1S/C16H22O2/c1-5-7-13-8-10-14(11-9-13)15(6-2)18-16(17)12(3)4/h8-11,15H,3,5-7H2,1-2,4H3
InChIKeyFQYKQXWMCVBFBN-UHFFFAOYSA-N
MW246.35 g/mol
LogP4.21
Rot. Bonds6

About 1-(4-propylphenyl)propyl 2-methylprop-2-enoate

1-(4-propylphenyl)propyl 2-methylprop-2-enoate (PubChem CID 174497650) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-(4-propylphenyl)propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-(4-propylphenyl)propyl 2-methylprop-2-enoate
PubChem CID174497650
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name1-(4-propylphenyl)propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CC)c1ccc(CCC)cc1
InChIInChI=1S/C16H22O2/c1-5-7-13-8-10-14(11-9-13)15(6-2)18-16(17)12(3)4/h8-11,15H,3,5-7H2,1-2,4H3
InChIKeyFQYKQXWMCVBFBN-UHFFFAOYSA-N
XLogP4.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methylsulfanylphenyl)propyl 2-methylprop-2-enoate
CID 156761883
1-(2-propylphenyl)propyl 2-methylprop-2-enoate
CID 174492886
1,3-bis(4-propylphenoxy)propan-2-yl 2-methylprop-2-enoate
CID 134322515
[4-[3-(4-propylphenyl)pentyl]phenyl] 2-methylprop-2-enoate
CID 57056990
1-(4-methylsulfanylphenyl)pentyl 2-methylprop-2-enoate
CID 156761879
1-phenylnonyl 2-methylprop-2-enoate
CID 22335755
1-phenyldecyl 2-methylprop-2-enoate
CID 140764423
methyl 2-(4-propylphenyl)propanoate
CID 62801402
(2-nitro-1-phenylethyl) 2-methylprop-2-enoate
CID 70388318
1-(4-nonylphenyl)propyl 5-nonylpyrimidine-2-carboxylate
CID 54146952
1-(2-propyl-1H-imidazol-5-yl)pentyl 2-methylprop-2-enoate
CID 139855136
ethyl 2-amino-2-(4-propylphenyl)acetate
CID 116947143

Frequently Asked Questions

What is the IUPAC name of 1-(4-propylphenyl)propyl 2-methylprop-2-enoate?
The IUPAC name of 1-(4-propylphenyl)propyl 2-methylprop-2-enoate (CID 174497650) is 1-(4-propylphenyl)propyl 2-methylprop-2-enoate.
What is the SMILES notation for 1-(4-propylphenyl)propyl 2-methylprop-2-enoate?
The canonical SMILES for 1-(4-propylphenyl)propyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(CC)c1ccc(CCC)cc1.
What is the InChIKey of 1-(4-propylphenyl)propyl 2-methylprop-2-enoate?
The InChIKey is FQYKQXWMCVBFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-5-7-13-8-10-14(11-9-13)15(6-2)18-16(17)12(3)4/h8-11,15H,3,5-7H2,1-2,4H3.
What are the key properties of 1-(4-propylphenyl)propyl 2-methylprop-2-enoate?
1-(4-propylphenyl)propyl 2-methylprop-2-enoate has a molecular weight of 246.35 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propylphenyl)propyl 2-methylprop-2-enoate is sourced from PubChem (CID 174497650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).