1-[2-(2-methoxyethoxy)phenyl]pentan-1-one

C14H20O3 — CID 104659358

IUPAC1-[2-(2-methoxyethoxy)phenyl]pentan-1-one
SMILESCCCCC(=O)c1ccccc1OCCOC
InChIInChI=1S/C14H20O3/c1-3-4-8-13(15)12-7-5-6-9-14(12)17-11-10-16-2/h5-7,9H,3-4,8,10-11H2,1-2H3
InChIKeyDXIQOCZYBBEKRO-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.08
Rot. Bonds8

About 1-[2-(2-methoxyethoxy)phenyl]pentan-1-one

1-[2-(2-methoxyethoxy)phenyl]pentan-1-one (PubChem CID 104659358) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-[2-(2-methoxyethoxy)phenyl]pentan-1-one.

Molecular Properties

Compound Name1-[2-(2-methoxyethoxy)phenyl]pentan-1-one
PubChem CID104659358
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name1-[2-(2-methoxyethoxy)phenyl]pentan-1-one
SMILESCCCCC(=O)c1ccccc1OCCOC
InChIInChI=1S/C14H20O3/c1-3-4-8-13(15)12-7-5-6-9-14(12)17-11-10-16-2/h5-7,9H,3-4,8,10-11H2,1-2H3
InChIKeyDXIQOCZYBBEKRO-UHFFFAOYSA-N
XLogP3.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxyphenyl)undecan-1-one
CID 63411736
1-[2-(2-methoxyethoxy)phenyl]-2-(methylamino)ethanone
CID 116553800
5-amino-1-[2-(2-methoxyethoxy)phenyl]-4-methylpentan-1-one
CID 116607622
N-(2-aminophenyl)-8-[2-(2-methoxyethoxy)phenyl]-8-oxooctanamide
CID 149460291
2-amino-1-(2-hexadecoxyphenyl)ethanone
CID 170860308
3-butoxy-1-(2-methoxyphenyl)propan-1-one
CID 55096402
1-[2-(2-methoxyethoxy)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 105128345
4-(2-butoxyphenyl)-2,4-dioxobutanoic acid
CID 510692
2-butoxybenzoic acid;carbonic acid
CID 137455653
2-pentoxybenzohydrazide
CID 54793215
2-hydroxy-1-[2-(2-methoxyethoxy)phenyl]butan-1-one
CID 103453033
4-methoxy-1-[2-(trifluoromethoxy)phenyl]butan-1-one
CID 65094401

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethoxy)phenyl]pentan-1-one?
The IUPAC name of 1-[2-(2-methoxyethoxy)phenyl]pentan-1-one (CID 104659358) is 1-[2-(2-methoxyethoxy)phenyl]pentan-1-one.
What is the SMILES notation for 1-[2-(2-methoxyethoxy)phenyl]pentan-1-one?
The canonical SMILES for 1-[2-(2-methoxyethoxy)phenyl]pentan-1-one is CCCCC(=O)c1ccccc1OCCOC.
What is the InChIKey of 1-[2-(2-methoxyethoxy)phenyl]pentan-1-one?
The InChIKey is DXIQOCZYBBEKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-3-4-8-13(15)12-7-5-6-9-14(12)17-11-10-16-2/h5-7,9H,3-4,8,10-11H2,1-2H3.
What are the key properties of 1-[2-(2-methoxyethoxy)phenyl]pentan-1-one?
1-[2-(2-methoxyethoxy)phenyl]pentan-1-one has a molecular weight of 236.31 g/mol, XLogP of 3.08, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethoxy)phenyl]pentan-1-one is sourced from PubChem (CID 104659358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).