ethyl 5-(4-formylphenoxy)pentanoate

C14H18O4 — CID 91655164

IUPACethyl 5-(4-formylphenoxy)pentanoate
SMILESCCOC(=O)CCCCOc1ccc(C=O)cc1
InChIInChI=1S/C14H18O4/c1-2-17-14(16)5-3-4-10-18-13-8-6-12(11-15)7-9-13/h6-9,11H,2-5,10H2,1H3
InChIKeyHBVYFIUTCQGGDA-UHFFFAOYSA-N
MW250.29 g/mol
LogP2.61
Rot. Bonds8

About ethyl 5-(4-formylphenoxy)pentanoate

ethyl 5-(4-formylphenoxy)pentanoate (PubChem CID 91655164) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is ethyl 5-(4-formylphenoxy)pentanoate.

Molecular Properties

Compound Nameethyl 5-(4-formylphenoxy)pentanoate
PubChem CID91655164
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Nameethyl 5-(4-formylphenoxy)pentanoate
SMILESCCOC(=O)CCCCOc1ccc(C=O)cc1
InChIInChI=1S/C14H18O4/c1-2-17-14(16)5-3-4-10-18-13-8-6-12(11-15)7-9-13/h6-9,11H,2-5,10H2,1H3
InChIKeyHBVYFIUTCQGGDA-UHFFFAOYSA-N
XLogP2.61
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(4-formylphenoxy)pentanehydrazide
CID 63569079
ethyl 7-(4-chlorophenoxy)heptanoate
CID 158846599
ethyl 6-(4-tert-butylphenoxy)hexanoate
CID 59210875
ethyl 3-[4-[(E)-2-[4-(3-ethoxy-3-oxopropoxy)phenyl]ethenyl]phenoxy]propanoate
CID 12559678
7-(4-formylphenoxy)heptanoic acid
CID 169448959
ethyl 6-(4-formylphenyl)sulfanylhexanoate
CID 113384677
4-(4-formylphenoxy)butanehydrazide
CID 63568719
4-[12-(4-formylphenoxy)dodecoxy]benzaldehyde
CID 19038503
4-[5-(4-formylphenoxy)pentoxy]benzaldehyde
CID 6421022
ethyl 11-(4-phenylmethoxyphenoxy)undecanoate
CID 21259961
ethyl 6-(4-heptoxyphenyl)-6-oxohexanoate
CID 24727585
(4-hydroxyphenyl)methyl 4-(4-formylphenoxy)butanoate
CID 142024607

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-formylphenoxy)pentanoate?
The IUPAC name of ethyl 5-(4-formylphenoxy)pentanoate (CID 91655164) is ethyl 5-(4-formylphenoxy)pentanoate.
What is the SMILES notation for ethyl 5-(4-formylphenoxy)pentanoate?
The canonical SMILES for ethyl 5-(4-formylphenoxy)pentanoate is CCOC(=O)CCCCOc1ccc(C=O)cc1.
What is the InChIKey of ethyl 5-(4-formylphenoxy)pentanoate?
The InChIKey is HBVYFIUTCQGGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-2-17-14(16)5-3-4-10-18-13-8-6-12(11-15)7-9-13/h6-9,11H,2-5,10H2,1H3.
What are the key properties of ethyl 5-(4-formylphenoxy)pentanoate?
ethyl 5-(4-formylphenoxy)pentanoate has a molecular weight of 250.29 g/mol, XLogP of 2.61, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-formylphenoxy)pentanoate is sourced from PubChem (CID 91655164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).