(2-methyl-6-propylphenyl) prop-2-enoate

C13H16O2 — CID 141217583

IUPAC(2-methyl-6-propylphenyl) prop-2-enoate
SMILESC=CC(=O)Oc1c(C)cccc1CCC
InChIInChI=1S/C13H16O2/c1-4-7-11-9-6-8-10(3)13(11)15-12(14)5-2/h5-6,8-9H,2,4,7H2,1,3H3
InChIKeyKHVNNBLWUSRNPA-UHFFFAOYSA-N
MW204.27 g/mol
LogP3.04
Rot. Bonds4

About (2-methyl-6-propylphenyl) prop-2-enoate

(2-methyl-6-propylphenyl) prop-2-enoate (PubChem CID 141217583) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is (2-methyl-6-propylphenyl) prop-2-enoate.

Molecular Properties

Compound Name(2-methyl-6-propylphenyl) prop-2-enoate
PubChem CID141217583
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name(2-methyl-6-propylphenyl) prop-2-enoate
SMILESC=CC(=O)Oc1c(C)cccc1CCC
InChIInChI=1S/C13H16O2/c1-4-7-11-9-6-8-10(3)13(11)15-12(14)5-2/h5-6,8-9H,2,4,7H2,1,3H3
InChIKeyKHVNNBLWUSRNPA-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
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-formyl-6-methylphenyl) prop-2-enoate
CID 89358403
[3-[(2,4-dimethyl-3-prop-2-enoyloxyphenyl)methyl]-2,6-dimethylphenyl] prop-2-enoate
CID 141237345
(2-ethoxy-3-nonylphenyl) prop-2-enoate
CID 18622959
(2-cyclopenta-2,4-dien-1-yl-6-methylphenyl) prop-2-enoate
CID 164546423
[3-(2-ethyl-6-methylphenoxy)-2-hydroxypropyl] prop-2-enoate
CID 166047713
1-(2-hydroxy-3-propylphenyl)prop-2-en-1-one
CID 150198540
(2,3-dimethylphenyl) (2-propylphenyl) carbonate
CID 67179085
[4-[2-(4-propylphenyl)ethyl]phenyl] prop-2-enoate
CID 70189649
(2-methyl-3,4-dipropoxy-5-propylphenyl) prop-2-enoate
CID 174604122
(2-hexadecylphenyl) prop-2-enoate
CID 141143244
2-(2-propylphenoxy)ethyl prop-2-enoate
CID 154077444
(2,3-diethoxy-4-propylphenyl) prop-2-enoate;2-methylprop-2-enoic acid
CID 18935688

Frequently Asked Questions

What is the IUPAC name of (2-methyl-6-propylphenyl) prop-2-enoate?
The IUPAC name of (2-methyl-6-propylphenyl) prop-2-enoate (CID 141217583) is (2-methyl-6-propylphenyl) prop-2-enoate.
What is the SMILES notation for (2-methyl-6-propylphenyl) prop-2-enoate?
The canonical SMILES for (2-methyl-6-propylphenyl) prop-2-enoate is C=CC(=O)Oc1c(C)cccc1CCC.
What is the InChIKey of (2-methyl-6-propylphenyl) prop-2-enoate?
The InChIKey is KHVNNBLWUSRNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-4-7-11-9-6-8-10(3)13(11)15-12(14)5-2/h5-6,8-9H,2,4,7H2,1,3H3.
What are the key properties of (2-methyl-6-propylphenyl) prop-2-enoate?
(2-methyl-6-propylphenyl) prop-2-enoate has a molecular weight of 204.27 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-6-propylphenyl) prop-2-enoate is sourced from PubChem (CID 141217583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).