ethyl 4-(3-phenylmethoxyphenyl)but-3-enoate

C19H20O3 — CID 170797112

IUPACethyl 4-(3-phenylmethoxyphenyl)but-3-enoate
SMILESCCOC(=O)CC=Cc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C19H20O3/c1-2-21-19(20)13-7-11-16-10-6-12-18(14-16)22-15-17-8-4-3-5-9-17/h3-12,14H,2,13,15H2,1H3
InChIKeySQDLVBQEDBWVMD-UHFFFAOYSA-N
MW296.37 g/mol
LogP4.23
Rot. Bonds7

About ethyl 4-(3-phenylmethoxyphenyl)but-3-enoate

ethyl 4-(3-phenylmethoxyphenyl)but-3-enoate (PubChem CID 170797112) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is ethyl 4-(3-phenylmethoxyphenyl)but-3-enoate.

Molecular Properties

Compound Nameethyl 4-(3-phenylmethoxyphenyl)but-3-enoate
PubChem CID170797112
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Nameethyl 4-(3-phenylmethoxyphenyl)but-3-enoate
SMILESCCOC(=O)CC=Cc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C19H20O3/c1-2-21-19(20)13-7-11-16-10-6-12-18(14-16)22-15-17-8-4-3-5-9-17/h3-12,14H,2,13,15H2,1H3
InChIKeySQDLVBQEDBWVMD-UHFFFAOYSA-N
XLogP4.23
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-4-(3-phenylmethoxyphenyl)but-3-enoic acid
CID 102534265
1-(2-ethoxyprop-1-enyl)-3-phenylmethoxybenzene
CID 57058324
2-ethoxy-3-(3-phenylmethoxyphenyl)prop-2-enoic acid
CID 69009380
S-[3-(3-phenylmethoxyphenyl)prop-2-enyl] ethanethioate
CID 169458192
ethyl (2E)-2-[(3-phenylmethoxyphenyl)methylidene]butanoate
CID 59590524
ethyl 4-[3-(ethylaminomethyl)phenyl]but-3-enoate
CID 170796522
(E)-3-ethoxycarbonyl-4-(3-phenylmethoxyphenyl)but-3-enoic acid
CID 59590470
ethyl 4-(3-chlorophenyl)but-3-enoate
CID 170795542
ethyl (Z)-3-(3-phenylmethoxyphenyl)but-2-enoate
CID 70527588
[(1S)-3-ethoxy-3-oxo-1-(3-phenylmethoxyphenyl)propyl]azanium
CID 7046970
ethyl (E)-3-hydroxy-2-[(3-phenylmethoxyphenyl)methyl]prop-2-enoate
CID 10543118
ethyl 4-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]but-3-enoate
CID 170797134

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-phenylmethoxyphenyl)but-3-enoate?
The IUPAC name of ethyl 4-(3-phenylmethoxyphenyl)but-3-enoate (CID 170797112) is ethyl 4-(3-phenylmethoxyphenyl)but-3-enoate.
What is the SMILES notation for ethyl 4-(3-phenylmethoxyphenyl)but-3-enoate?
The canonical SMILES for ethyl 4-(3-phenylmethoxyphenyl)but-3-enoate is CCOC(=O)CC=Cc1cccc(OCc2ccccc2)c1.
What is the InChIKey of ethyl 4-(3-phenylmethoxyphenyl)but-3-enoate?
The InChIKey is SQDLVBQEDBWVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O3/c1-2-21-19(20)13-7-11-16-10-6-12-18(14-16)22-15-17-8-4-3-5-9-17/h3-12,14H,2,13,15H2,1H3.
What are the key properties of ethyl 4-(3-phenylmethoxyphenyl)but-3-enoate?
ethyl 4-(3-phenylmethoxyphenyl)but-3-enoate has a molecular weight of 296.37 g/mol, XLogP of 4.23, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-phenylmethoxyphenyl)but-3-enoate is sourced from PubChem (CID 170797112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).