prop-2-enyl 2-(4-propan-2-ylphenyl)acetate

C14H18O2 — CID 175438226

IUPACprop-2-enyl 2-(4-propan-2-ylphenyl)acetate
SMILESC=CCOC(=O)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C14H18O2/c1-4-9-16-14(15)10-12-5-7-13(8-6-12)11(2)3/h4-8,11H,1,9-10H2,2-3H3
InChIKeyJADXFKFVXZYZCW-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.08
Rot. Bonds5

About prop-2-enyl 2-(4-propan-2-ylphenyl)acetate

prop-2-enyl 2-(4-propan-2-ylphenyl)acetate (PubChem CID 175438226) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is prop-2-enyl 2-(4-propan-2-ylphenyl)acetate.

Molecular Properties

Compound Nameprop-2-enyl 2-(4-propan-2-ylphenyl)acetate
PubChem CID175438226
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Nameprop-2-enyl 2-(4-propan-2-ylphenyl)acetate
SMILESC=CCOC(=O)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C14H18O2/c1-4-9-16-14(15)10-12-5-7-13(8-6-12)11(2)3/h4-8,11H,1,9-10H2,2-3H3
InChIKeyJADXFKFVXZYZCW-UHFFFAOYSA-N
XLogP3.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enyl 2-(4-aminophenyl)acetate
CID 91683020
prop-2-enyl 2-(4-hydroxyphenyl)acetate
CID 11275537
prop-2-enyl 2-(4-iodophenyl)acetate
CID 175438229
bis[(E)-2-methyl-3-(4-propan-2-ylphenyl)prop-1-enyl] butanedioate
CID 70223360
prop-2-enyl 2-[4-(2,5-dioxopyrrol-1-yl)phenyl]acetate
CID 46949350
prop-2-enyl 2-[4-(2-hydroxyphenyl)phenyl]acetate
CID 67659535
(4-propan-2-ylphenyl)methyl 2-methylpropanoate
CID 58781802
prop-2-enyl 3-hydroxybutanoate
CID 14360290
ethyl 2-[4-[(1R)-1-aminoethyl]phenyl]acetate;hydrochloride
CID 155291481
(2S)-2-[(4-propan-2-ylphenyl)methyl]pent-4-enamide
CID 125467117
prop-2-enyl 2-(4-isocyanatosulfonylphenyl)acetate
CID 22347435
(Z)-4-methyl-3-[(4-propan-2-ylphenyl)methyl]pent-2-enoic acid
CID 82086217

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-(4-propan-2-ylphenyl)acetate?
The IUPAC name of prop-2-enyl 2-(4-propan-2-ylphenyl)acetate (CID 175438226) is prop-2-enyl 2-(4-propan-2-ylphenyl)acetate.
What is the SMILES notation for prop-2-enyl 2-(4-propan-2-ylphenyl)acetate?
The canonical SMILES for prop-2-enyl 2-(4-propan-2-ylphenyl)acetate is C=CCOC(=O)Cc1ccc(C(C)C)cc1.
What is the InChIKey of prop-2-enyl 2-(4-propan-2-ylphenyl)acetate?
The InChIKey is JADXFKFVXZYZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-4-9-16-14(15)10-12-5-7-13(8-6-12)11(2)3/h4-8,11H,1,9-10H2,2-3H3.
What are the key properties of prop-2-enyl 2-(4-propan-2-ylphenyl)acetate?
prop-2-enyl 2-(4-propan-2-ylphenyl)acetate has a molecular weight of 218.30 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-(4-propan-2-ylphenyl)acetate is sourced from PubChem (CID 175438226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).