1-[2-(diethoxymethoxy)phenyl]butan-1-one

C15H22O4 — CID 174440855

IUPAC1-[2-(diethoxymethoxy)phenyl]butan-1-one
SMILESCCCC(=O)c1ccccc1OC(OCC)OCC
InChIInChI=1S/C15H22O4/c1-4-9-13(16)12-10-7-8-11-14(12)19-15(17-5-2)18-6-3/h7-8,10-11,15H,4-6,9H2,1-3H3
InChIKeyALDWCHAAAOXRSE-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.40
Rot. Bonds9

About 1-[2-(diethoxymethoxy)phenyl]butan-1-one

1-[2-(diethoxymethoxy)phenyl]butan-1-one (PubChem CID 174440855) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[2-(diethoxymethoxy)phenyl]butan-1-one.

Molecular Properties

Compound Name1-[2-(diethoxymethoxy)phenyl]butan-1-one
PubChem CID174440855
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name1-[2-(diethoxymethoxy)phenyl]butan-1-one
SMILESCCCC(=O)c1ccccc1OC(OCC)OCC
InChIInChI=1S/C15H22O4/c1-4-9-13(16)12-10-7-8-11-14(12)19-15(17-5-2)18-6-3/h7-8,10-11,15H,4-6,9H2,1-3H3
InChIKeyALDWCHAAAOXRSE-UHFFFAOYSA-N
XLogP3.40
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2-hydroxypropan-2-yl)phenyl]butan-1-one
CID 175087395
3-(dimethylamino)-1-(2-ethoxyphenyl)propan-1-one
CID 115345793
1-[2-[2-(diethylamino)ethoxy]phenyl]butan-1-one
CID 30287
3-chloro-1-[2-(difluoromethoxy)phenyl]propan-1-one
CID 175668326
1-[2-(difluoromethoxy)phenyl]-4-methylpentan-1-one
CID 114966814
1-(2-fluorophenyl)butan-1-one;2-propoxybutane
CID 156796432
2,2-diethoxy-1-naphthalen-1-ylethanone
CID 79495258
[2-(2-butanoyloxybenzoyl)phenyl] butanoate
CID 139701045
1-(2-methoxyphenyl)undecan-1-one
CID 63411736
1-[2-[2-[bis(2-chloroethyl)amino]ethoxy]phenyl]butan-1-one
CID 3788085
(2-benzoyloxy-3-butanoylphenyl) benzoate
CID 141250057
1-[2-(4-chloro-2,6-dimethylphenoxy)phenyl]propan-1-one
CID 115994681

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethoxymethoxy)phenyl]butan-1-one?
The IUPAC name of 1-[2-(diethoxymethoxy)phenyl]butan-1-one (CID 174440855) is 1-[2-(diethoxymethoxy)phenyl]butan-1-one.
What is the SMILES notation for 1-[2-(diethoxymethoxy)phenyl]butan-1-one?
The canonical SMILES for 1-[2-(diethoxymethoxy)phenyl]butan-1-one is CCCC(=O)c1ccccc1OC(OCC)OCC.
What is the InChIKey of 1-[2-(diethoxymethoxy)phenyl]butan-1-one?
The InChIKey is ALDWCHAAAOXRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-4-9-13(16)12-10-7-8-11-14(12)19-15(17-5-2)18-6-3/h7-8,10-11,15H,4-6,9H2,1-3H3.
What are the key properties of 1-[2-(diethoxymethoxy)phenyl]butan-1-one?
1-[2-(diethoxymethoxy)phenyl]butan-1-one has a molecular weight of 266.34 g/mol, XLogP of 3.40, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethoxymethoxy)phenyl]butan-1-one is sourced from PubChem (CID 174440855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).