3-(2-phenylphenoxy)butyl 2-methylprop-2-enoate

C20H22O3 — CID 140787377

IUPAC3-(2-phenylphenoxy)butyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC(C)Oc1ccccc1-c1ccccc1
InChIInChI=1S/C20H22O3/c1-15(2)20(21)22-14-13-16(3)23-19-12-8-7-11-18(19)17-9-5-4-6-10-17/h4-12,16H,1,13-14H2,2-3H3
InChIKeyJSKLSYMWYPOWEU-UHFFFAOYSA-N
MW310.39 g/mol
LogP4.63
Rot. Bonds7

About 3-(2-phenylphenoxy)butyl 2-methylprop-2-enoate

3-(2-phenylphenoxy)butyl 2-methylprop-2-enoate (PubChem CID 140787377) has the molecular formula C20H22O3 and a molecular weight of 310.39 g/mol. Its IUPAC name is 3-(2-phenylphenoxy)butyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-(2-phenylphenoxy)butyl 2-methylprop-2-enoate
PubChem CID140787377
Molecular FormulaC20H22O3
Molecular Weight310.39 g/mol
Exact Mass310.16
IUPAC Name3-(2-phenylphenoxy)butyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC(C)Oc1ccccc1-c1ccccc1
InChIInChI=1S/C20H22O3/c1-15(2)20(21)22-14-13-16(3)23-19-12-8-7-11-18(19)17-9-5-4-6-10-17/h4-12,16H,1,13-14H2,2-3H3
InChIKeyJSKLSYMWYPOWEU-UHFFFAOYSA-N
XLogP4.63
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 54.63
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

4-[4-(2-phenylphenoxy)butoxy]butyl 2-methylprop-2-enoate
CID 139671734
6-(2-phenylphenoxy)carbonyloxyhexyl 2-methylprop-2-enoate
CID 171768489
2-(2-methylprop-2-enoyloxy)ethyl 4-(2-phenylphenyl)benzoate
CID 174745989
5-(2-phenylphenyl)pentyl 2-methylprop-2-enoate
CID 171768668
2-(2-methylprop-2-enoyloxy)ethyl 3-[2-(2-methylprop-2-enoyloxy)ethoxy]-4-phenylbenzoate
CID 139527339
1-[(2S)-octan-2-yl]oxy-2-phenylbenzene
CID 122219918
(4,4-dihydroxy-3-methyl-4-phenylbutyl) 2-methylprop-2-enoate
CID 150252991
ethyl 3-[2-(2-phenylphenyl)phenoxy]butanoate
CID 91197703
2-[4-[2-[4-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-phenylphenyl]propan-2-yl]-2-phenylphenoxy]ethyl 2-methylprop-2-enoate
CID 18755717
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;toluene
CID 163489883
[3-(2,3-diphenylcycloprop-2-en-1-yl)-3-oxopropyl] 2-methylprop-2-enoate
CID 122530240
(3-phenyl-2-sulfanylphenyl) 2-methylprop-2-enoate
CID 139613270

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylphenoxy)butyl 2-methylprop-2-enoate?
The IUPAC name of 3-(2-phenylphenoxy)butyl 2-methylprop-2-enoate (CID 140787377) is 3-(2-phenylphenoxy)butyl 2-methylprop-2-enoate.
What is the SMILES notation for 3-(2-phenylphenoxy)butyl 2-methylprop-2-enoate?
The canonical SMILES for 3-(2-phenylphenoxy)butyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCC(C)Oc1ccccc1-c1ccccc1.
What is the InChIKey of 3-(2-phenylphenoxy)butyl 2-methylprop-2-enoate?
The InChIKey is JSKLSYMWYPOWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O3/c1-15(2)20(21)22-14-13-16(3)23-19-12-8-7-11-18(19)17-9-5-4-6-10-17/h4-12,16H,1,13-14H2,2-3H3.
What are the key properties of 3-(2-phenylphenoxy)butyl 2-methylprop-2-enoate?
3-(2-phenylphenoxy)butyl 2-methylprop-2-enoate has a molecular weight of 310.39 g/mol, XLogP of 4.63, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylphenoxy)butyl 2-methylprop-2-enoate is sourced from PubChem (CID 140787377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).