(2-propylphenyl) 2-methylprop-2-enoate

C13H16O2 — CID 22709190

IUPAC(2-propylphenyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccccc1CCC
InChIInChI=1S/C13H16O2/c1-4-7-11-8-5-6-9-12(11)15-13(14)10(2)3/h5-6,8-9H,2,4,7H2,1,3H3
InChIKeySZVDCXKETCPZOL-UHFFFAOYSA-N
MW204.27 g/mol
LogP3.12
Rot. Bonds4

About (2-propylphenyl) 2-methylprop-2-enoate

(2-propylphenyl) 2-methylprop-2-enoate (PubChem CID 22709190) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is (2-propylphenyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(2-propylphenyl) 2-methylprop-2-enoate
PubChem CID22709190
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name(2-propylphenyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccccc1CCC
InChIInChI=1S/C13H16O2/c1-4-7-11-8-5-6-9-12(11)15-13(14)10(2)3/h5-6,8-9H,2,4,7H2,1,3H3
InChIKeySZVDCXKETCPZOL-UHFFFAOYSA-N
XLogP3.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 53.12
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

(2-octadecylphenyl) 2-methylprop-2-enoate
CID 141143341
bis(2-propylphenyl) carbonate
CID 66781525
2-(2-hydroxy-3-propylphenoxy)ethyl 2-methylprop-2-enoate
CID 164966256
1-(2-propylphenyl)propyl 2-methylprop-2-enoate
CID 174492886
(2,3-dibutoxy-4-propylphenyl) 2-methylprop-2-enoate
CID 70638662
4-O-(2-fluorophenyl) 1-O-(2-propylphenyl) butanedioate
CID 91735547
(2,3-dimethylphenyl) (2-propylphenyl) carbonate
CID 67179085
(2-acetylphenyl) 2-methylprop-2-enoate
CID 19877902
[2-[1,2,2-tris[2-(2-methylprop-2-enoyloxy)phenyl]ethenyl]phenyl] 2-methylprop-2-enoate
CID 162511991
(2-ethylphenyl) 2-methylbut-2-enoate
CID 175294734
ethane;naphthalen-1-yl 2-methylprop-2-enoate
CID 91365419
hexyl (2-propylphenyl) carbonate
CID 67179757

Frequently Asked Questions

What is the IUPAC name of (2-propylphenyl) 2-methylprop-2-enoate?
The IUPAC name of (2-propylphenyl) 2-methylprop-2-enoate (CID 22709190) is (2-propylphenyl) 2-methylprop-2-enoate.
What is the SMILES notation for (2-propylphenyl) 2-methylprop-2-enoate?
The canonical SMILES for (2-propylphenyl) 2-methylprop-2-enoate is C=C(C)C(=O)Oc1ccccc1CCC.
What is the InChIKey of (2-propylphenyl) 2-methylprop-2-enoate?
The InChIKey is SZVDCXKETCPZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-4-7-11-8-5-6-9-12(11)15-13(14)10(2)3/h5-6,8-9H,2,4,7H2,1,3H3.
What are the key properties of (2-propylphenyl) 2-methylprop-2-enoate?
(2-propylphenyl) 2-methylprop-2-enoate has a molecular weight of 204.27 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propylphenyl) 2-methylprop-2-enoate is sourced from PubChem (CID 22709190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).