ethyl 4-[4-(4-ethenylphenoxy)butoxy]benzoate

C21H24O4 — CID 102095927

IUPACethyl 4-[4-(4-ethenylphenoxy)butoxy]benzoate
SMILESC=Cc1ccc(OCCCCOc2ccc(C(=O)OCC)cc2)cc1
InChIInChI=1S/C21H24O4/c1-3-17-7-11-19(12-8-17)24-15-5-6-16-25-20-13-9-18(10-14-20)21(22)23-4-2/h3,7-14H,1,4-6,15-16H2,2H3
InChIKeyAHZQKODVKUFDLR-UHFFFAOYSA-N
MW340.42 g/mol
LogP4.74
Rot. Bonds10

About ethyl 4-[4-(4-ethenylphenoxy)butoxy]benzoate

ethyl 4-[4-(4-ethenylphenoxy)butoxy]benzoate (PubChem CID 102095927) has the molecular formula C21H24O4 and a molecular weight of 340.42 g/mol. Its IUPAC name is ethyl 4-[4-(4-ethenylphenoxy)butoxy]benzoate.

Molecular Properties

Compound Nameethyl 4-[4-(4-ethenylphenoxy)butoxy]benzoate
PubChem CID102095927
Molecular FormulaC21H24O4
Molecular Weight340.42 g/mol
Exact Mass340.17
IUPAC Nameethyl 4-[4-(4-ethenylphenoxy)butoxy]benzoate
SMILESC=Cc1ccc(OCCCCOc2ccc(C(=O)OCC)cc2)cc1
InChIInChI=1S/C21H24O4/c1-3-17-7-11-19(12-8-17)24-15-5-6-16-25-20-13-9-18(10-14-20)21(22)23-4-2/h3,7-14H,1,4-6,15-16H2,2H3
InChIKeyAHZQKODVKUFDLR-UHFFFAOYSA-N
XLogP4.74
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[2-(4-ethenylphenyl)ethynyl]benzoate
CID 132532578
ethyl 4-octoxybenzoate
CID 18955745
ethyl 4-decoxybenzoate
CID 3706251
hexyl 4-ethenylbenzoate
CID 12541506
ethyl 4-[11-(4-chlorophenoxy)undecoxy]benzoate
CID 21319306
ethyl 4-(4-pentoxyphenyl)benzoate
CID 70928367
ethyl 4-(3-fluoropropoxy)benzoate
CID 81106633
ethyl 4-(4-butoxybenzoyl)benzoate
CID 70804443
2,2,2-trifluoroethyl 4-[4-[6-(4-ethenylphenoxy)hexoxy]phenyl]benzoate
CID 102125036
(4-butylphenyl) 4-[11-(4-ethenylphenoxy)undecoxy]benzoate
CID 101417269
6-(4-ethoxycarbonylphenoxy)hexylboronic acid
CID 71507401
ethyl 4-(2-octoxyethoxy)benzoate
CID 10064743

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-(4-ethenylphenoxy)butoxy]benzoate?
The IUPAC name of ethyl 4-[4-(4-ethenylphenoxy)butoxy]benzoate (CID 102095927) is ethyl 4-[4-(4-ethenylphenoxy)butoxy]benzoate.
What is the SMILES notation for ethyl 4-[4-(4-ethenylphenoxy)butoxy]benzoate?
The canonical SMILES for ethyl 4-[4-(4-ethenylphenoxy)butoxy]benzoate is C=Cc1ccc(OCCCCOc2ccc(C(=O)OCC)cc2)cc1.
What is the InChIKey of ethyl 4-[4-(4-ethenylphenoxy)butoxy]benzoate?
The InChIKey is AHZQKODVKUFDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O4/c1-3-17-7-11-19(12-8-17)24-15-5-6-16-25-20-13-9-18(10-14-20)21(22)23-4-2/h3,7-14H,1,4-6,15-16H2,2H3.
What are the key properties of ethyl 4-[4-(4-ethenylphenoxy)butoxy]benzoate?
ethyl 4-[4-(4-ethenylphenoxy)butoxy]benzoate has a molecular weight of 340.42 g/mol, XLogP of 4.74, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-(4-ethenylphenoxy)butoxy]benzoate is sourced from PubChem (CID 102095927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).