propan-2-yl 3-(4-propan-2-yloxyphenyl)prop-2-enoate

C15H20O3 — CID 140807731

IUPACpropan-2-yl 3-(4-propan-2-yloxyphenyl)prop-2-enoate
SMILESCC(C)OC(=O)C=Cc1ccc(OC(C)C)cc1
InChIInChI=1S/C15H20O3/c1-11(2)17-14-8-5-13(6-9-14)7-10-15(16)18-12(3)4/h5-12H,1-4H3
InChIKeyKYZNENFATXBDGE-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.44
Rot. Bonds5

About propan-2-yl 3-(4-propan-2-yloxyphenyl)prop-2-enoate

propan-2-yl 3-(4-propan-2-yloxyphenyl)prop-2-enoate (PubChem CID 140807731) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is propan-2-yl 3-(4-propan-2-yloxyphenyl)prop-2-enoate.

Molecular Properties

Compound Namepropan-2-yl 3-(4-propan-2-yloxyphenyl)prop-2-enoate
PubChem CID140807731
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Namepropan-2-yl 3-(4-propan-2-yloxyphenyl)prop-2-enoate
SMILESCC(C)OC(=O)C=Cc1ccc(OC(C)C)cc1
InChIInChI=1S/C15H20O3/c1-11(2)17-14-8-5-13(6-9-14)7-10-15(16)18-12(3)4/h5-12H,1-4H3
InChIKeyKYZNENFATXBDGE-UHFFFAOYSA-N
XLogP3.44
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (E)-3-(4-propan-2-yloxyphenyl)prop-2-enoate
CID 130331817
propan-2-yl 3-(4-chlorophenyl)prop-2-enoate
CID 2755677
propan-2-yl 3-(4-propan-2-ylphenyl)prop-2-enoate
CID 67541560
propan-2-yl 3-(4-cyanophenyl)prop-2-enoate
CID 112722924
methyl 4-[(E)-3-oxo-3-(4-propan-2-yloxyphenyl)prop-1-enyl]benzoate
CID 8829761
methyl (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate
CID 78906321
1-piperazin-1-yl-3-(4-propan-2-yloxyphenyl)prop-2-en-1-one
CID 54096458
(E)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(4-propan-2-yloxyphenyl)prop-2-en-1-one
CID 111560958
(E)-1-(5-chlorothiophen-2-yl)-3-(4-propan-2-yloxyphenyl)prop-2-en-1-one
CID 19556949
1-[(E)-2-phenylethenyl]-4-propan-2-yloxybenzene
CID 168849749
(E)-1-(3-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)prop-2-en-1-one
CID 19560724
(E)-1-(4-bromothiophen-2-yl)-3-(4-propan-2-yloxyphenyl)prop-2-en-1-one
CID 19569640

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-(4-propan-2-yloxyphenyl)prop-2-enoate?
The IUPAC name of propan-2-yl 3-(4-propan-2-yloxyphenyl)prop-2-enoate (CID 140807731) is propan-2-yl 3-(4-propan-2-yloxyphenyl)prop-2-enoate.
What is the SMILES notation for propan-2-yl 3-(4-propan-2-yloxyphenyl)prop-2-enoate?
The canonical SMILES for propan-2-yl 3-(4-propan-2-yloxyphenyl)prop-2-enoate is CC(C)OC(=O)C=Cc1ccc(OC(C)C)cc1.
What is the InChIKey of propan-2-yl 3-(4-propan-2-yloxyphenyl)prop-2-enoate?
The InChIKey is KYZNENFATXBDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-11(2)17-14-8-5-13(6-9-14)7-10-15(16)18-12(3)4/h5-12H,1-4H3.
What are the key properties of propan-2-yl 3-(4-propan-2-yloxyphenyl)prop-2-enoate?
propan-2-yl 3-(4-propan-2-yloxyphenyl)prop-2-enoate has a molecular weight of 248.32 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-(4-propan-2-yloxyphenyl)prop-2-enoate is sourced from PubChem (CID 140807731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).