1-[3-(2-hydroxyethoxymethyl)phenyl]ethanone;1-[3-(propoxymethyl)phenyl]ethanone

C23H30O5 — CID 162210994

IUPAC1-[3-(2-hydroxyethoxymethyl)phenyl]ethanone;1-[3-(propoxymethyl)phenyl]ethanone
SMILESCC(=O)c1cccc(COCCO)c1.CCCOCc1cccc(C(C)=O)c1
InChIInChI=1S/C12H16O2.C11H14O3/c1-3-7-14-9-11-5-4-6-12(8-11)10(2)13;1-9(13)11-4-2-3-10(7-11)8-14-6-5-12/h4-6,8H,3,7,9H2,1-2H3;2-4,7,12H,5-6,8H2,1H3
InChIKeyZSVOJXSCVYIPBC-UHFFFAOYSA-N
MW386.49 g/mol
LogP4.21
Rot. Bonds10

About 1-[3-(2-hydroxyethoxymethyl)phenyl]ethanone;1-[3-(propoxymethyl)phenyl]ethanone

1-[3-(2-hydroxyethoxymethyl)phenyl]ethanone;1-[3-(propoxymethyl)phenyl]ethanone (PubChem CID 162210994) has the molecular formula C23H30O5 and a molecular weight of 386.49 g/mol. Its IUPAC name is 1-[3-(2-hydroxyethoxymethyl)phenyl]ethanone;1-[3-(propoxymethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-(2-hydroxyethoxymethyl)phenyl]ethanone;1-[3-(propoxymethyl)phenyl]ethanone
PubChem CID162210994
Molecular FormulaC23H30O5
Molecular Weight386.49 g/mol
Exact Mass386.21
IUPAC Name1-[3-(2-hydroxyethoxymethyl)phenyl]ethanone;1-[3-(propoxymethyl)phenyl]ethanone
SMILESCC(=O)c1cccc(COCCO)c1.CCCOCc1cccc(C(C)=O)c1
InChIInChI=1S/C12H16O2.C11H14O3/c1-3-7-14-9-11-5-4-6-12(8-11)10(2)13;1-9(13)11-4-2-3-10(7-11)8-14-6-5-12/h4-6,8H,3,7,9H2,1-2H3;2-4,7,12H,5-6,8H2,1H3
InChIKeyZSVOJXSCVYIPBC-UHFFFAOYSA-N
XLogP4.21
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[2-(2-propoxyethoxy)ethoxymethyl]benzoate
CID 157191874
1-[4-[2-[2-(2-propoxyethoxy)ethoxy]ethoxymethyl]phenyl]ethanone
CID 159078637
1-[3-tert-butyl-5-(propoxymethyl)phenyl]ethanone
CID 58136896
1-[3-(methoxymethyl)phenyl]ethanone;1-[4-(methoxymethyl)phenyl]ethanone
CID 54297695
propyl 3-(methoxymethoxymethyl)benzoate
CID 174489069
propyl 3-acetylbenzoate
CID 153251461
N-(3-acetylphenyl)-2-(2-hydroxyethoxy)acetamide
CID 110678314
1-bromo-3-(propoxymethyl)benzene
CID 57057286
1-[3-[2-[2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]phenyl]ethanone
CID 122582585
propyl 3-(methoxymethyl)benzoate
CID 78846700
propyl 3-[(2-amino-2-methylpropoxy)methyl]benzoate
CID 82353227
1-[3-(sulfanylmethyl)phenyl]ethanone
CID 56991195

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-hydroxyethoxymethyl)phenyl]ethanone;1-[3-(propoxymethyl)phenyl]ethanone?
The IUPAC name of 1-[3-(2-hydroxyethoxymethyl)phenyl]ethanone;1-[3-(propoxymethyl)phenyl]ethanone (CID 162210994) is 1-[3-(2-hydroxyethoxymethyl)phenyl]ethanone;1-[3-(propoxymethyl)phenyl]ethanone.
What is the SMILES notation for 1-[3-(2-hydroxyethoxymethyl)phenyl]ethanone;1-[3-(propoxymethyl)phenyl]ethanone?
The canonical SMILES for 1-[3-(2-hydroxyethoxymethyl)phenyl]ethanone;1-[3-(propoxymethyl)phenyl]ethanone is CC(=O)c1cccc(COCCO)c1.CCCOCc1cccc(C(C)=O)c1.
What is the InChIKey of 1-[3-(2-hydroxyethoxymethyl)phenyl]ethanone;1-[3-(propoxymethyl)phenyl]ethanone?
The InChIKey is ZSVOJXSCVYIPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2.C11H14O3/c1-3-7-14-9-11-5-4-6-12(8-11)10(2)13;1-9(13)11-4-2-3-10(7-11)8-14-6-5-12/h4-6,8H,3,7,9H2,1-2H3;2-4,7,12H,5-6,8H2,1H3.
What are the key properties of 1-[3-(2-hydroxyethoxymethyl)phenyl]ethanone;1-[3-(propoxymethyl)phenyl]ethanone?
1-[3-(2-hydroxyethoxymethyl)phenyl]ethanone;1-[3-(propoxymethyl)phenyl]ethanone has a molecular weight of 386.49 g/mol, XLogP of 4.21, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-hydroxyethoxymethyl)phenyl]ethanone;1-[3-(propoxymethyl)phenyl]ethanone is sourced from PubChem (CID 162210994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).