[3,4-di(propan-2-yl)phenyl] prop-2-enoate

C15H20O2 — CID 168959354

IUPAC[3,4-di(propan-2-yl)phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccc(C(C)C)c(C(C)C)c1
InChIInChI=1S/C15H20O2/c1-6-15(16)17-12-7-8-13(10(2)3)14(9-12)11(4)5/h6-11H,1H2,2-5H3
InChIKeyOWNXTRZOOCHQON-UHFFFAOYSA-N
MW232.32 g/mol
LogP4.02
Rot. Bonds4

About [3,4-di(propan-2-yl)phenyl] prop-2-enoate

[3,4-di(propan-2-yl)phenyl] prop-2-enoate (PubChem CID 168959354) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is [3,4-di(propan-2-yl)phenyl] prop-2-enoate.

Molecular Properties

Compound Name[3,4-di(propan-2-yl)phenyl] prop-2-enoate
PubChem CID168959354
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name[3,4-di(propan-2-yl)phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccc(C(C)C)c(C(C)C)c1
InChIInChI=1S/C15H20O2/c1-6-15(16)17-12-7-8-13(10(2)3)14(9-12)11(4)5/h6-11H,1H2,2-5H3
InChIKeyOWNXTRZOOCHQON-UHFFFAOYSA-N
XLogP4.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 54.02
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-[bis(4-prop-2-enoyloxyphenyl)methyl]phenyl] prop-2-enoate
CID 90224723
(3-chlorophenyl) prop-2-enoate
CID 10241458
2-(3-prop-2-enoyloxyphenyl)propanoic acid
CID 142749581
2-methyl-4-prop-2-enoyloxybenzoic acid
CID 151032706
(3-ethyl-4-hydroxyphenyl) prop-2-enoate
CID 174614583
(3-ethoxyphenyl) prop-2-enoate
CID 54380290
(4-hydroxyphenyl) prop-2-enoate;methoxymethane
CID 67882332
(4-phenylperoxyphenyl) prop-2-enoate
CID 163991970
ethene;(3-methylphenyl) prop-2-enoate
CID 161018707
6-prop-2-enoyloxynaphthalene-2-carboxylic acid;hydrochloride
CID 66781745
[4-[bis(2,5-dimethyl-4-prop-2-enoyloxyphenyl)methyl]phenyl] prop-2-enoate
CID 102112166
(2,5-diethoxyphenyl) prop-2-enoate
CID 174805229

Frequently Asked Questions

What is the IUPAC name of [3,4-di(propan-2-yl)phenyl] prop-2-enoate?
The IUPAC name of [3,4-di(propan-2-yl)phenyl] prop-2-enoate (CID 168959354) is [3,4-di(propan-2-yl)phenyl] prop-2-enoate.
What is the SMILES notation for [3,4-di(propan-2-yl)phenyl] prop-2-enoate?
The canonical SMILES for [3,4-di(propan-2-yl)phenyl] prop-2-enoate is C=CC(=O)Oc1ccc(C(C)C)c(C(C)C)c1.
What is the InChIKey of [3,4-di(propan-2-yl)phenyl] prop-2-enoate?
The InChIKey is OWNXTRZOOCHQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-6-15(16)17-12-7-8-13(10(2)3)14(9-12)11(4)5/h6-11H,1H2,2-5H3.
What are the key properties of [3,4-di(propan-2-yl)phenyl] prop-2-enoate?
[3,4-di(propan-2-yl)phenyl] prop-2-enoate has a molecular weight of 232.32 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4-di(propan-2-yl)phenyl] prop-2-enoate is sourced from PubChem (CID 168959354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).