(3-propan-2-yl-4-propylphenyl) 2-methylprop-2-enoate

C16H22O2 — CID 150431295

IUPAC(3-propan-2-yl-4-propylphenyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(CCC)c(C(C)C)c1
InChIInChI=1S/C16H22O2/c1-6-7-13-8-9-14(10-15(13)11(2)3)18-16(17)12(4)5/h8-11H,4,6-7H2,1-3,5H3
InChIKeyHJVHDIGCIITVIO-UHFFFAOYSA-N
MW246.35 g/mol
LogP4.24
Rot. Bonds5

About (3-propan-2-yl-4-propylphenyl) 2-methylprop-2-enoate

(3-propan-2-yl-4-propylphenyl) 2-methylprop-2-enoate (PubChem CID 150431295) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is (3-propan-2-yl-4-propylphenyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(3-propan-2-yl-4-propylphenyl) 2-methylprop-2-enoate
PubChem CID150431295
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name(3-propan-2-yl-4-propylphenyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(CCC)c(C(C)C)c1
InChIInChI=1S/C16H22O2/c1-6-7-13-8-9-14(10-15(13)11(2)3)18-16(17)12(4)5/h8-11H,4,6-7H2,1-3,5H3
InChIKeyHJVHDIGCIITVIO-UHFFFAOYSA-N
XLogP4.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 54.24
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-[4-(2-methylprop-2-enoyloxy)-2-propylphenyl]phenyl] 2-methylprop-2-enoate
CID 154596457
[4-[4-(4-methoxyphenyl)-2,5-bis(2-methylprop-2-enoyloxy)phenyl]-3-propan-2-ylphenyl] 2-methylprop-2-enoate
CID 144772136
(4-ethoxyphenyl) 2-methylprop-2-enoate
CID 54374861
(2-propylphenyl) 2-methylprop-2-enoate
CID 22709190
(4-pentan-2-ylphenyl) 2-methylprop-2-enoate
CID 89171123
[4-[bis[2-methyl-4-(2-methylprop-2-enoyloxy)phenyl]methyl]-3-methylphenyl] 2-methylprop-2-enoate
CID 147925089
(2,3-dibutoxy-4-propylphenyl) 2-methylprop-2-enoate
CID 70638662
(3-acetyloxy-4-propylphenyl) acetate
CID 14592780
[7-(2-methylprop-2-enoyloxy)phenanthren-2-yl] 2-methylpropanoate
CID 126555024
[6-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]oxynaphthalen-2-yl] 2-methylprop-2-enoate
CID 58069127
[4-(2-methylprop-2-enoyloxy)-3-propanoylphenyl] 2-methylprop-2-enoate
CID 169258545
1-(2-propylphenyl)propyl 2-methylprop-2-enoate
CID 174492886

Frequently Asked Questions

What is the IUPAC name of (3-propan-2-yl-4-propylphenyl) 2-methylprop-2-enoate?
The IUPAC name of (3-propan-2-yl-4-propylphenyl) 2-methylprop-2-enoate (CID 150431295) is (3-propan-2-yl-4-propylphenyl) 2-methylprop-2-enoate.
What is the SMILES notation for (3-propan-2-yl-4-propylphenyl) 2-methylprop-2-enoate?
The canonical SMILES for (3-propan-2-yl-4-propylphenyl) 2-methylprop-2-enoate is C=C(C)C(=O)Oc1ccc(CCC)c(C(C)C)c1.
What is the InChIKey of (3-propan-2-yl-4-propylphenyl) 2-methylprop-2-enoate?
The InChIKey is HJVHDIGCIITVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-6-7-13-8-9-14(10-15(13)11(2)3)18-16(17)12(4)5/h8-11H,4,6-7H2,1-3,5H3.
What are the key properties of (3-propan-2-yl-4-propylphenyl) 2-methylprop-2-enoate?
(3-propan-2-yl-4-propylphenyl) 2-methylprop-2-enoate has a molecular weight of 246.35 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propan-2-yl-4-propylphenyl) 2-methylprop-2-enoate is sourced from PubChem (CID 150431295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).