methyl 5-(5-formyl-2-methoxyphenoxy)pentanoate

C14H18O5 — CID 87741357

IUPACmethyl 5-(5-formyl-2-methoxyphenoxy)pentanoate
SMILESCOC(=O)CCCCOc1cc(C=O)ccc1OC
InChIInChI=1S/C14H18O5/c1-17-12-7-6-11(10-15)9-13(12)19-8-4-3-5-14(16)18-2/h6-7,9-10H,3-5,8H2,1-2H3
InChIKeyLACOTTKWHGQKBY-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.23
Rot. Bonds8

About methyl 5-(5-formyl-2-methoxyphenoxy)pentanoate

methyl 5-(5-formyl-2-methoxyphenoxy)pentanoate (PubChem CID 87741357) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is methyl 5-(5-formyl-2-methoxyphenoxy)pentanoate.

Molecular Properties

Compound Namemethyl 5-(5-formyl-2-methoxyphenoxy)pentanoate
PubChem CID87741357
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Namemethyl 5-(5-formyl-2-methoxyphenoxy)pentanoate
SMILESCOC(=O)CCCCOc1cc(C=O)ccc1OC
InChIInChI=1S/C14H18O5/c1-17-12-7-6-11(10-15)9-13(12)19-8-4-3-5-14(16)18-2/h6-7,9-10H,3-5,8H2,1-2H3
InChIKeyLACOTTKWHGQKBY-UHFFFAOYSA-N
XLogP2.23
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

4-[12-(4-formyl-2-methoxyphenoxy)dodecoxy]-3-methoxybenzaldehyde
CID 101048187
methyl 2-(4-formyl-2-methoxyphenoxy)acetate
CID 882523
3-hept-6-enoxy-4-methoxybenzaldehyde
CID 107007313
4-(8-hydroxyoctoxy)-3-methoxybenzaldehyde
CID 59839085
methyl 4-(2-formyl-4-methylphenoxy)butanoate
CID 63324744
4-(2-hydroxyethoxy)-3-methoxybenzaldehyde
CID 3152712
3-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde
CID 3738735
(4-formyl-2-methoxyphenyl) 5-hydroxyhexanoate
CID 163765604
N-ethyl-3-(4-formyl-2-methoxyphenoxy)propanamide
CID 62326485
3-methoxy-4-(4-methoxy-4-oxobutoxy)benzoic acid
CID 43378064
tert-butyl 2-(5-formyl-2-methoxyphenoxy)acetate
CID 171130082
4-methoxy-3-(3-methoxy-3-methylbutoxy)benzaldehyde
CID 102974983

Frequently Asked Questions

What is the IUPAC name of methyl 5-(5-formyl-2-methoxyphenoxy)pentanoate?
The IUPAC name of methyl 5-(5-formyl-2-methoxyphenoxy)pentanoate (CID 87741357) is methyl 5-(5-formyl-2-methoxyphenoxy)pentanoate.
What is the SMILES notation for methyl 5-(5-formyl-2-methoxyphenoxy)pentanoate?
The canonical SMILES for methyl 5-(5-formyl-2-methoxyphenoxy)pentanoate is COC(=O)CCCCOc1cc(C=O)ccc1OC.
What is the InChIKey of methyl 5-(5-formyl-2-methoxyphenoxy)pentanoate?
The InChIKey is LACOTTKWHGQKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O5/c1-17-12-7-6-11(10-15)9-13(12)19-8-4-3-5-14(16)18-2/h6-7,9-10H,3-5,8H2,1-2H3.
What are the key properties of methyl 5-(5-formyl-2-methoxyphenoxy)pentanoate?
methyl 5-(5-formyl-2-methoxyphenoxy)pentanoate has a molecular weight of 266.29 g/mol, XLogP of 2.23, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(5-formyl-2-methoxyphenoxy)pentanoate is sourced from PubChem (CID 87741357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).