ethyl 2-(3-phenylmethoxyphenyl)prop-2-enoate

C18H18O3 — CID 69253409

IUPACethyl 2-(3-phenylmethoxyphenyl)prop-2-enoate
SMILESC=C(C(=O)OCC)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C18H18O3/c1-3-20-18(19)14(2)16-10-7-11-17(12-16)21-13-15-8-5-4-6-9-15/h4-12H,2-3,13H2,1H3
InChIKeyAKZHRYUNWZFADO-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.84
Rot. Bonds6

About ethyl 2-(3-phenylmethoxyphenyl)prop-2-enoate

ethyl 2-(3-phenylmethoxyphenyl)prop-2-enoate (PubChem CID 69253409) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is ethyl 2-(3-phenylmethoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-(3-phenylmethoxyphenyl)prop-2-enoate
PubChem CID69253409
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Nameethyl 2-(3-phenylmethoxyphenyl)prop-2-enoate
SMILESC=C(C(=O)OCC)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C18H18O3/c1-3-20-18(19)14(2)16-10-7-11-17(12-16)21-13-15-8-5-4-6-9-15/h4-12H,2-3,13H2,1H3
InChIKeyAKZHRYUNWZFADO-UHFFFAOYSA-N
XLogP3.84
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.84
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

diethyl 2-oxo-3-(3-phenylmethoxyphenyl)butanedioate;ethyl 2-(3-phenylmethoxyphenyl)prop-2-enoate
CID 159281106
ethyl (Z)-3-(3-phenylmethoxyphenyl)but-2-enoate
CID 70527588
ethyl 2-[3-(trifluoromethoxy)phenyl]prop-2-enoate
CID 151326809
diethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
CID 11393300
ethyl (E)-3-hydroxy-2-[(3-phenylmethoxyphenyl)methyl]prop-2-enoate
CID 10543118
(1-ethoxy-1,3-dioxobutan-2-yl) 3-phenylmethoxybenzoate
CID 139830136
N,N-dimethyl-3-phenylmethoxybenzamide
CID 8778645
2-amino-1-(3-phenylmethoxyphenyl)ethanone;hydrochloride
CID 71464250
ethyl (2E)-2-[(3-phenylmethoxyphenyl)methylidene]butanoate
CID 59590524
ethyl 2-phenylprop-2-enoate;2-methylprop-2-enoic acid
CID 70039514
ethyl 4-[(3-acetylphenoxy)methyl]benzoate
CID 925874
2-(2-methylphenyl)-1-(3-phenylmethoxyphenyl)ethanone
CID 10519489

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-phenylmethoxyphenyl)prop-2-enoate?
The IUPAC name of ethyl 2-(3-phenylmethoxyphenyl)prop-2-enoate (CID 69253409) is ethyl 2-(3-phenylmethoxyphenyl)prop-2-enoate.
What is the SMILES notation for ethyl 2-(3-phenylmethoxyphenyl)prop-2-enoate?
The canonical SMILES for ethyl 2-(3-phenylmethoxyphenyl)prop-2-enoate is C=C(C(=O)OCC)c1cccc(OCc2ccccc2)c1.
What is the InChIKey of ethyl 2-(3-phenylmethoxyphenyl)prop-2-enoate?
The InChIKey is AKZHRYUNWZFADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c1-3-20-18(19)14(2)16-10-7-11-17(12-16)21-13-15-8-5-4-6-9-15/h4-12H,2-3,13H2,1H3.
What are the key properties of ethyl 2-(3-phenylmethoxyphenyl)prop-2-enoate?
ethyl 2-(3-phenylmethoxyphenyl)prop-2-enoate has a molecular weight of 282.34 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-phenylmethoxyphenyl)prop-2-enoate is sourced from PubChem (CID 69253409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).