2-(2-formyl-4-phenylmethoxyphenoxy)ethyl acetate

C18H18O5 — CID 150506758

IUPAC2-(2-formyl-4-phenylmethoxyphenoxy)ethyl acetate
SMILESCC(=O)OCCOc1ccc(OCc2ccccc2)cc1C=O
InChIInChI=1S/C18H18O5/c1-14(20)21-9-10-22-18-8-7-17(11-16(18)12-19)23-13-15-5-3-2-4-6-15/h2-8,11-12H,9-10,13H2,1H3
InChIKeyHYZICFGVOXUSSR-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.02
Rot. Bonds8

About 2-(2-formyl-4-phenylmethoxyphenoxy)ethyl acetate

2-(2-formyl-4-phenylmethoxyphenoxy)ethyl acetate (PubChem CID 150506758) has the molecular formula C18H18O5 and a molecular weight of 314.34 g/mol. Its IUPAC name is 2-(2-formyl-4-phenylmethoxyphenoxy)ethyl acetate.

Molecular Properties

Compound Name2-(2-formyl-4-phenylmethoxyphenoxy)ethyl acetate
PubChem CID150506758
Molecular FormulaC18H18O5
Molecular Weight314.34 g/mol
Exact Mass314.12
IUPAC Name2-(2-formyl-4-phenylmethoxyphenoxy)ethyl acetate
SMILESCC(=O)OCCOc1ccc(OCc2ccccc2)cc1C=O
InChIInChI=1S/C18H18O5/c1-14(20)21-9-10-22-18-8-7-17(11-16(18)12-19)23-13-15-5-3-2-4-6-15/h2-8,11-12H,9-10,13H2,1H3
InChIKeyHYZICFGVOXUSSR-UHFFFAOYSA-N
XLogP3.02
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.02
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

N,N-diethyl-2-formyl-4-phenylmethoxybenzamide
CID 82544299
[2,4-bis(phenylmethoxy)phenyl] acetate
CID 57281184
2-(2-formyl-4-methoxyphenoxy)-N-(4-phenylmethoxyphenyl)acetamide
CID 8633989
5-methyl-2-phenylmethoxybenzaldehyde
CID 1247883
2-(3-methylbut-2-enoxy)-4-phenylmethoxybenzaldehyde
CID 56605246
benzyl 4-(2-acetyloxyethoxy)-2-methoxybenzoate
CID 58984680
2-(2-ethenyl-4-phenylmethoxyphenoxy)acetic acid
CID 22261154
ethane;5-methyl-2-phenylmethoxybenzaldehyde
CID 142857349
2-acetyloxy-5-phenylmethoxybenzoic acid
CID 71396804
2-[2-(2-acetyloxyethoxy)phenoxy]ethyl acetate
CID 6421422
(E)-3-(2-methoxy-5-phenylmethoxyphenyl)prop-2-enoic acid
CID 11414899
methyl 2-[2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]-4-phenylmethoxyphenoxy]ethoxy]-N-(2-methoxy-2-oxoethyl)-5-phenylmethoxyanilino]acetate
CID 54313950

Frequently Asked Questions

What is the IUPAC name of 2-(2-formyl-4-phenylmethoxyphenoxy)ethyl acetate?
The IUPAC name of 2-(2-formyl-4-phenylmethoxyphenoxy)ethyl acetate (CID 150506758) is 2-(2-formyl-4-phenylmethoxyphenoxy)ethyl acetate.
What is the SMILES notation for 2-(2-formyl-4-phenylmethoxyphenoxy)ethyl acetate?
The canonical SMILES for 2-(2-formyl-4-phenylmethoxyphenoxy)ethyl acetate is CC(=O)OCCOc1ccc(OCc2ccccc2)cc1C=O.
What is the InChIKey of 2-(2-formyl-4-phenylmethoxyphenoxy)ethyl acetate?
The InChIKey is HYZICFGVOXUSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O5/c1-14(20)21-9-10-22-18-8-7-17(11-16(18)12-19)23-13-15-5-3-2-4-6-15/h2-8,11-12H,9-10,13H2,1H3.
What are the key properties of 2-(2-formyl-4-phenylmethoxyphenoxy)ethyl acetate?
2-(2-formyl-4-phenylmethoxyphenoxy)ethyl acetate has a molecular weight of 314.34 g/mol, XLogP of 3.02, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-formyl-4-phenylmethoxyphenoxy)ethyl acetate is sourced from PubChem (CID 150506758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).