tert-butyl 2-(2-phenylmethoxyphenyl)prop-2-enoate

C20H22O3 — CID 174495508

IUPACtert-butyl 2-(2-phenylmethoxyphenyl)prop-2-enoate
SMILESC=C(C(=O)OC(C)(C)C)c1ccccc1OCc1ccccc1
InChIInChI=1S/C20H22O3/c1-15(19(21)23-20(2,3)4)17-12-8-9-13-18(17)22-14-16-10-6-5-7-11-16/h5-13H,1,14H2,2-4H3
InChIKeyZXVJRVGOIWGBHF-UHFFFAOYSA-N
MW310.39 g/mol
LogP4.62
Rot. Bonds5

About tert-butyl 2-(2-phenylmethoxyphenyl)prop-2-enoate

tert-butyl 2-(2-phenylmethoxyphenyl)prop-2-enoate (PubChem CID 174495508) has the molecular formula C20H22O3 and a molecular weight of 310.39 g/mol. Its IUPAC name is tert-butyl 2-(2-phenylmethoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Nametert-butyl 2-(2-phenylmethoxyphenyl)prop-2-enoate
PubChem CID174495508
Molecular FormulaC20H22O3
Molecular Weight310.39 g/mol
Exact Mass310.16
IUPAC Nametert-butyl 2-(2-phenylmethoxyphenyl)prop-2-enoate
SMILESC=C(C(=O)OC(C)(C)C)c1ccccc1OCc1ccccc1
InChIInChI=1S/C20H22O3/c1-15(19(21)23-20(2,3)4)17-12-8-9-13-18(17)22-14-16-10-6-5-7-11-16/h5-13H,1,14H2,2-4H3
InChIKeyZXVJRVGOIWGBHF-UHFFFAOYSA-N
XLogP4.62
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl 2-(2-phenylmethoxyphenyl)prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-tert-butyl-2-phenylmethoxybenzamide
CID 4946348
dimethyl (E)-2,3-bis(2-phenylmethoxyphenyl)but-2-enedioate
CID 135020990
2-phenylmethoxybenzoyl chloride
CID 10999355
N'-(2,2-dimethylpropanoyl)-2-phenylmethoxybenzohydrazide
CID 4938113
benzyl 2-methylprop-2-enoate;tert-butyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 20574609
tert-butyl 3,5-bis(phenylmethoxy)-4-(2-phenylmethoxycarbonylbenzoyl)benzoate
CID 11006693
2-bromo-1-(2-phenylmethoxyphenyl)ethanone
CID 12541850
2,2-dibromo-1-(2-phenylmethoxyphenyl)ethanone
CID 87515751
tert-butyl N-(2-methyl-6-phenylmethoxyphenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 175096452
tert-butyl 2-[[4-[(2-phenylmethoxybenzoyl)amino]phenyl]sulfonylamino]acetate
CID 22456308
1-(1-cyclopropylethenyl)-2-phenylmethoxybenzene
CID 175668306
1-tert-butyl-2-phenylmethoxybenzene;formaldehyde
CID 174659745

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-phenylmethoxyphenyl)prop-2-enoate?
The IUPAC name of tert-butyl 2-(2-phenylmethoxyphenyl)prop-2-enoate (CID 174495508) is tert-butyl 2-(2-phenylmethoxyphenyl)prop-2-enoate.
What is the SMILES notation for tert-butyl 2-(2-phenylmethoxyphenyl)prop-2-enoate?
The canonical SMILES for tert-butyl 2-(2-phenylmethoxyphenyl)prop-2-enoate is C=C(C(=O)OC(C)(C)C)c1ccccc1OCc1ccccc1.
What is the InChIKey of tert-butyl 2-(2-phenylmethoxyphenyl)prop-2-enoate?
The InChIKey is ZXVJRVGOIWGBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O3/c1-15(19(21)23-20(2,3)4)17-12-8-9-13-18(17)22-14-16-10-6-5-7-11-16/h5-13H,1,14H2,2-4H3.
What are the key properties of tert-butyl 2-(2-phenylmethoxyphenyl)prop-2-enoate?
tert-butyl 2-(2-phenylmethoxyphenyl)prop-2-enoate has a molecular weight of 310.39 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-phenylmethoxyphenyl)prop-2-enoate is sourced from PubChem (CID 174495508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).