ethyl 2-[4-[(E)-3-(4-phenylphenyl)but-2-enoxy]phenoxy]hexanoate

C30H34O4 — CID 143039244

IUPACethyl 2-[4-[(E)-3-(4-phenylphenyl)but-2-enoxy]phenoxy]hexanoate
SMILESCCCCC(Oc1ccc(OC/C=C(\C)c2ccc(-c3ccccc3)cc2)cc1)C(=O)OCC
InChIInChI=1S/C30H34O4/c1-4-6-12-29(30(31)32-5-2)34-28-19-17-27(18-20-28)33-22-21-23(3)24-13-15-26(16-14-24)25-10-8-7-9-11-25/h7-11,13-21,29H,4-6,12,22H2,1-3H3/b23-21+
InChIKeyGFOMWHOTZAWBJW-XTQSDGFTSA-N
MW458.60 g/mol
LogP7.34
Rot. Bonds12

About ethyl 2-[4-[(E)-3-(4-phenylphenyl)but-2-enoxy]phenoxy]hexanoate

ethyl 2-[4-[(E)-3-(4-phenylphenyl)but-2-enoxy]phenoxy]hexanoate (PubChem CID 143039244) has the molecular formula C30H34O4 and a molecular weight of 458.60 g/mol. Its IUPAC name is ethyl 2-[4-[(E)-3-(4-phenylphenyl)but-2-enoxy]phenoxy]hexanoate.

Molecular Properties

Compound Nameethyl 2-[4-[(E)-3-(4-phenylphenyl)but-2-enoxy]phenoxy]hexanoate
PubChem CID143039244
Molecular FormulaC30H34O4
Molecular Weight458.60 g/mol
Exact Mass458.25
IUPAC Nameethyl 2-[4-[(E)-3-(4-phenylphenyl)but-2-enoxy]phenoxy]hexanoate
SMILESCCCCC(Oc1ccc(OC/C=C(\C)c2ccc(-c3ccccc3)cc2)cc1)C(=O)OCC
InChIInChI=1S/C30H34O4/c1-4-6-12-29(30(31)32-5-2)34-28-19-17-27(18-20-28)33-22-21-23(3)24-13-15-26(16-14-24)25-10-8-7-9-11-25/h7-11,13-21,29H,4-6,12,22H2,1-3H3/b23-21+
InChIKeyGFOMWHOTZAWBJW-XTQSDGFTSA-N
XLogP7.34
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.60
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[4-[(E)-3-(4-phenylphenyl)but-2-enoxy]phenoxy]hexanoate with MolForge

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Related Compounds

ethyl 2-(4-phenylphenoxy)heptanoate
CID 154127822
2-ethoxy-3-[4-[3-(4-phenylphenyl)but-2-enoxy]phenyl]propanoic acid
CID 69457142
ethyl 2-ethoxy-3-[4-[(E)-3-(4-phenoxyphenyl)but-2-enoxy]phenyl]propanoate
CID 10204857
ethyl (2S)-3-[4-[3-[4-(4-chlorophenyl)phenyl]but-2-enoxy]phenyl]-2-ethoxypropanoate
CID 90904748
2-methyl-2-[4-[3-(4-phenylphenyl)but-2-enoxy]phenoxy]pentanoic acid
CID 69474931
ethyl 2-phenoxydecanoate
CID 101000092
ethyl 2-ethoxy-3-[4-[(E)-3-[4-(4-propan-2-ylphenyl)phenyl]but-2-enoxy]phenyl]propanoate
CID 22557617
ethyl (2S)-3-[4-[3-[4-(3,5-dichlorophenyl)phenyl]but-2-enoxy]phenyl]-2-ethoxypropanoate
CID 91275416
ethyl 3-[4-[(E)-3-[4-(3,5-dichlorophenyl)phenyl]but-2-enoxy]phenyl]-2-ethoxypropanoate
CID 22557577
2-ethoxy-3-[4-[(E)-3-[4-(3-methylphenyl)phenyl]but-2-enoxy]phenyl]propanoic acid
CID 10159794
ethyl (2S)-3-[4-[3-(2,4-diphenylphenyl)but-2-enoxy]phenyl]-2-ethoxypropanoate
CID 90940529
ethyl 3-[4-[(E)-3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]but-2-enoxy]phenyl]-2-ethoxypropanoate
CID 10120993

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[(E)-3-(4-phenylphenyl)but-2-enoxy]phenoxy]hexanoate?
The IUPAC name of ethyl 2-[4-[(E)-3-(4-phenylphenyl)but-2-enoxy]phenoxy]hexanoate (CID 143039244) is ethyl 2-[4-[(E)-3-(4-phenylphenyl)but-2-enoxy]phenoxy]hexanoate.
What is the SMILES notation for ethyl 2-[4-[(E)-3-(4-phenylphenyl)but-2-enoxy]phenoxy]hexanoate?
The canonical SMILES for ethyl 2-[4-[(E)-3-(4-phenylphenyl)but-2-enoxy]phenoxy]hexanoate is CCCCC(Oc1ccc(OC/C=C(\C)c2ccc(-c3ccccc3)cc2)cc1)C(=O)OCC.
What is the InChIKey of ethyl 2-[4-[(E)-3-(4-phenylphenyl)but-2-enoxy]phenoxy]hexanoate?
The InChIKey is GFOMWHOTZAWBJW-XTQSDGFTSA-N. The full InChI is InChI=1S/C30H34O4/c1-4-6-12-29(30(31)32-5-2)34-28-19-17-27(18-20-28)33-22-21-23(3)24-13-15-26(16-14-24)25-10-8-7-9-11-25/h7-11,13-21,29H,4-6,12,22H2,1-3H3/b23-21+.
What are the key properties of ethyl 2-[4-[(E)-3-(4-phenylphenyl)but-2-enoxy]phenoxy]hexanoate?
ethyl 2-[4-[(E)-3-(4-phenylphenyl)but-2-enoxy]phenoxy]hexanoate has a molecular weight of 458.60 g/mol, XLogP of 7.34, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[(E)-3-(4-phenylphenyl)but-2-enoxy]phenoxy]hexanoate is sourced from PubChem (CID 143039244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).