tert-butyl 3-(2-methoxyphenyl)prop-2-enoate

C14H18O3 — CID 72952089

IUPACtert-butyl 3-(2-methoxyphenyl)prop-2-enoate
SMILESCOc1ccccc1C=CC(=O)OC(C)(C)C
InChIInChI=1S/C14H18O3/c1-14(2,3)17-13(15)10-9-11-7-5-6-8-12(11)16-4/h5-10H,1-4H3
InChIKeyPILZCWVUYGMYSM-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.05
Rot. Bonds3

About tert-butyl 3-(2-methoxyphenyl)prop-2-enoate

tert-butyl 3-(2-methoxyphenyl)prop-2-enoate (PubChem CID 72952089) has the molecular formula C14H18O3 and a molecular weight of 234.30 g/mol. Its IUPAC name is tert-butyl 3-(2-methoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Nametert-butyl 3-(2-methoxyphenyl)prop-2-enoate
PubChem CID72952089
Molecular FormulaC14H18O3
Molecular Weight234.30 g/mol
Exact Mass234.13
IUPAC Nametert-butyl 3-(2-methoxyphenyl)prop-2-enoate
SMILESCOc1ccccc1C=CC(=O)OC(C)(C)C
InChIInChI=1S/C14H18O3/c1-14(2,3)17-13(15)10-9-11-7-5-6-8-12(11)16-4/h5-10H,1-4H3
InChIKeyPILZCWVUYGMYSM-UHFFFAOYSA-N
XLogP3.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.05
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-[2-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enoate
CID 130331815
tert-butyl (E)-3-(2-propan-2-yloxyphenyl)prop-2-enoate
CID 130331865
(3,3-dimethyl-2-oxobutyl) 3-(2-methoxyphenyl)prop-2-enoate
CID 3632241
tert-butyl (E)-3-(2-tert-butylphenyl)prop-2-enoate
CID 89085119
tert-butyl 3-(2-butan-2-yloxyphenyl)prop-2-enoate
CID 140807767
(Z)-1,1,1-trifluoro-4-(2-methoxyphenyl)but-3-en-2-one
CID 23274353
(2-amino-2-oxoethyl) (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 2541550
(Z)-3-(2-methoxyphenyl)-1-phenylprop-2-en-1-one
CID 25021886
2-[2-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]phenyl]acetic acid
CID 71623527
(2,6-dimethylphenyl) (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 734263
N-hydroxy-3-(2-methoxyphenyl)prop-2-enamide
CID 123173944
butan-2-yl (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 130331874

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2-methoxyphenyl)prop-2-enoate?
The IUPAC name of tert-butyl 3-(2-methoxyphenyl)prop-2-enoate (CID 72952089) is tert-butyl 3-(2-methoxyphenyl)prop-2-enoate.
What is the SMILES notation for tert-butyl 3-(2-methoxyphenyl)prop-2-enoate?
The canonical SMILES for tert-butyl 3-(2-methoxyphenyl)prop-2-enoate is COc1ccccc1C=CC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-(2-methoxyphenyl)prop-2-enoate?
The InChIKey is PILZCWVUYGMYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-14(2,3)17-13(15)10-9-11-7-5-6-8-12(11)16-4/h5-10H,1-4H3.
What are the key properties of tert-butyl 3-(2-methoxyphenyl)prop-2-enoate?
tert-butyl 3-(2-methoxyphenyl)prop-2-enoate has a molecular weight of 234.30 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2-methoxyphenyl)prop-2-enoate is sourced from PubChem (CID 72952089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).