1,1'-biphenyl;1-ethoxyethyl prop-2-enoate

C19H22O3 — CID 174728082

IUPAC1,1'-biphenyl;1-ethoxyethyl prop-2-enoate
SMILESC=CC(=O)OC(C)OCC.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C7H12O3/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-4-7(8)10-6(3)9-5-2/h1-10H;4,6H,1,5H2,2-3H3
InChIKeyWIOMHDYHHKKMRS-UHFFFAOYSA-N
MW298.38 g/mol
LogP4.45
Rot. Bonds5

About 1,1'-biphenyl;1-ethoxyethyl prop-2-enoate

1,1'-biphenyl;1-ethoxyethyl prop-2-enoate (PubChem CID 174728082) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is 1,1'-biphenyl;1-ethoxyethyl prop-2-enoate.

Molecular Properties

Compound Name1,1'-biphenyl;1-ethoxyethyl prop-2-enoate
PubChem CID174728082
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Name1,1'-biphenyl;1-ethoxyethyl prop-2-enoate
SMILESC=CC(=O)OC(C)OCC.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C7H12O3/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-4-7(8)10-6(3)9-5-2/h1-10H;4,6H,1,5H2,2-3H3
InChIKeyWIOMHDYHHKKMRS-UHFFFAOYSA-N
XLogP4.45
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-ethoxyethyl prop-2-enoate;1-phenoxyethyl prop-2-enoate
CID 20550277
1-[1-[1-(1-ethoxyethoxy)ethoxy]ethoxy]ethyl prop-2-enoate
CID 174987831
(1-ethoxy-3-phenylpropyl) prop-2-enoate
CID 118662658
1-phenylethyl prop-2-enoate
CID 175321764
1-(2-hydroxyphenoxy)ethyl prop-2-enoate
CID 18934210
2-(1-prop-2-enoyloxyethoxy)benzoic acid
CID 18934237
1-(1-prop-2-enoyloxyethoxy)ethyl prop-2-enoate
CID 18008699
[(1R)-1-phenylbut-3-enyl] prop-2-enoate
CID 11195026
(2,2,2-triethoxy-1-phenoxyethyl) prop-2-enoate
CID 139774262
1-[1-(1-phenoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl prop-2-enoate
CID 69379024
1-ethoxyethyl 4-ethenylbenzoate
CID 23124798
1-ethoxyethyl 3-hydroxy-5-prop-2-enoyloxybenzoate
CID 150298337

Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;1-ethoxyethyl prop-2-enoate?
The IUPAC name of 1,1'-biphenyl;1-ethoxyethyl prop-2-enoate (CID 174728082) is 1,1'-biphenyl;1-ethoxyethyl prop-2-enoate.
What is the SMILES notation for 1,1'-biphenyl;1-ethoxyethyl prop-2-enoate?
The canonical SMILES for 1,1'-biphenyl;1-ethoxyethyl prop-2-enoate is C=CC(=O)OC(C)OCC.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;1-ethoxyethyl prop-2-enoate?
The InChIKey is WIOMHDYHHKKMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C7H12O3/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-4-7(8)10-6(3)9-5-2/h1-10H;4,6H,1,5H2,2-3H3.
What are the key properties of 1,1'-biphenyl;1-ethoxyethyl prop-2-enoate?
1,1'-biphenyl;1-ethoxyethyl prop-2-enoate has a molecular weight of 298.38 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;1-ethoxyethyl prop-2-enoate is sourced from PubChem (CID 174728082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).