[4-[(E)-prop-1-enyl]phenyl] 2-methoxy-2-methylpropanoate

C14H18O3 — CID 6365975

IUPAC[4-[(E)-prop-1-enyl]phenyl] 2-methoxy-2-methylpropanoate
SMILESC/C=C/c1ccc(OC(=O)C(C)(C)OC)cc1
InChIInChI=1S/C14H18O3/c1-5-6-11-7-9-12(10-8-11)17-13(15)14(2,3)16-4/h5-10H,1-4H3/b6-5+
InChIKeyAACYEXPXGTUARI-AATRIKPKSA-N
MW234.29 g/mol
LogP3.05
Rot. Bonds4

About [4-[(E)-prop-1-enyl]phenyl] 2-methoxy-2-methylpropanoate

[4-[(E)-prop-1-enyl]phenyl] 2-methoxy-2-methylpropanoate (PubChem CID 6365975) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is [4-[(E)-prop-1-enyl]phenyl] 2-methoxy-2-methylpropanoate.

Molecular Properties

Compound Name[4-[(E)-prop-1-enyl]phenyl] 2-methoxy-2-methylpropanoate
PubChem CID6365975
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name[4-[(E)-prop-1-enyl]phenyl] 2-methoxy-2-methylpropanoate
SMILESC/C=C/c1ccc(OC(=O)C(C)(C)OC)cc1
InChIInChI=1S/C14H18O3/c1-5-6-11-7-9-12(10-8-11)17-13(15)14(2,3)16-4/h5-10H,1-4H3/b6-5+
InChIKeyAACYEXPXGTUARI-AATRIKPKSA-N
XLogP3.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-4-prop-1-enylbenzene
CID 67322568
[4-[(Z)-prop-1-enyl]phenyl] 2-hydroxybenzoate
CID 70304294
4-[(Z)-prop-1-enyl]benzoic acid
CID 70130780
[4-[(E)-2-[3,5-bis[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy]phenyl]ethenyl]phenyl] 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate
CID 86305888
(4-methoxyphenyl) (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 774853
[4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenyl] 2,2,3,3,3-pentafluoropropanoate
CID 91744795
[4-(2-chloro-2-methylpropanoyl)oxyphenyl] 2-chloro-2-methylpropanoate
CID 101006575
1-[(Z)-prop-1-enyl]-4-(trifluoromethoxy)benzene
CID 153000469
(4-formylphenyl) 2-bromo-2-methylbutanoate
CID 143162824
[2-methoxy-4-[(E)-prop-1-enyl]phenyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 152820667
[4-[(E)-2-(3,5-diacetyloxyphenyl)ethenyl]phenyl] 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate
CID 86305893
4-prop-1-enylbenzenecarboperoxoic acid
CID 171324450

Frequently Asked Questions

What is the IUPAC name of [4-[(E)-prop-1-enyl]phenyl] 2-methoxy-2-methylpropanoate?
The IUPAC name of [4-[(E)-prop-1-enyl]phenyl] 2-methoxy-2-methylpropanoate (CID 6365975) is [4-[(E)-prop-1-enyl]phenyl] 2-methoxy-2-methylpropanoate.
What is the SMILES notation for [4-[(E)-prop-1-enyl]phenyl] 2-methoxy-2-methylpropanoate?
The canonical SMILES for [4-[(E)-prop-1-enyl]phenyl] 2-methoxy-2-methylpropanoate is C/C=C/c1ccc(OC(=O)C(C)(C)OC)cc1.
What is the InChIKey of [4-[(E)-prop-1-enyl]phenyl] 2-methoxy-2-methylpropanoate?
The InChIKey is AACYEXPXGTUARI-AATRIKPKSA-N. The full InChI is InChI=1S/C14H18O3/c1-5-6-11-7-9-12(10-8-11)17-13(15)14(2,3)16-4/h5-10H,1-4H3/b6-5+.
What are the key properties of [4-[(E)-prop-1-enyl]phenyl] 2-methoxy-2-methylpropanoate?
[4-[(E)-prop-1-enyl]phenyl] 2-methoxy-2-methylpropanoate has a molecular weight of 234.29 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-prop-1-enyl]phenyl] 2-methoxy-2-methylpropanoate is sourced from PubChem (CID 6365975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).