1-[2,3-bis(2-methoxyethoxy)-4-methylphenyl]ethanone

C15H22O5 — CID 123152359

IUPAC1-[2,3-bis(2-methoxyethoxy)-4-methylphenyl]ethanone
SMILESCOCCOc1c(C)ccc(C(C)=O)c1OCCOC
InChIInChI=1S/C15H22O5/c1-11-5-6-13(12(2)16)15(20-10-8-18-4)14(11)19-9-7-17-3/h5-6H,7-10H2,1-4H3
InChIKeyMBLZMCKUIWXNLJ-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.25
Rot. Bonds9

About 1-[2,3-bis(2-methoxyethoxy)-4-methylphenyl]ethanone

1-[2,3-bis(2-methoxyethoxy)-4-methylphenyl]ethanone (PubChem CID 123152359) has the molecular formula C15H22O5 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-[2,3-bis(2-methoxyethoxy)-4-methylphenyl]ethanone.

Molecular Properties

Compound Name1-[2,3-bis(2-methoxyethoxy)-4-methylphenyl]ethanone
PubChem CID123152359
Molecular FormulaC15H22O5
Molecular Weight282.34 g/mol
Exact Mass282.15
IUPAC Name1-[2,3-bis(2-methoxyethoxy)-4-methylphenyl]ethanone
SMILESCOCCOc1c(C)ccc(C(C)=O)c1OCCOC
InChIInChI=1S/C15H22O5/c1-11-5-6-13(12(2)16)15(20-10-8-18-4)14(11)19-9-7-17-3/h5-6H,7-10H2,1-4H3
InChIKeyMBLZMCKUIWXNLJ-UHFFFAOYSA-N
XLogP2.25
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3,4-tripropoxyphenyl)ethanone
CID 93191480
1-fluoro-3-(2-methoxyethoxy)-2,4-dimethylbenzene
CID 166160017
2-[2-(2-methoxyethoxy)ethoxy]-1,3-dimethylbenzene
CID 83057558
1-(2-ethoxy-3-methylphenyl)ethanone
CID 82074964
1-[2-(2,6-dimethylphenoxy)ethyl]-3-(2-methoxyethyl)urea
CID 47216835
ethyl 2-(2-methoxyethoxy)-3-methylbenzenecarboperoxoate
CID 175011291
2-(2-methoxyethoxy)-3-methylaniline
CID 115550862
1-(3-methoxy-5,8-dimethylnaphthalen-2-yl)ethanone
CID 11333653
1-chloro-2-(2-methoxyethoxy)-3-methylbenzene
CID 59177618
1-(2-methoxyethoxy)-4-methylnaphthalene
CID 90431362
2,2,2-trifluoro-N-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-6-methyl-2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]phenoxy]ethyl]acetamide
CID 91358246
1-[4-bromo-2-[2-(2-methoxyethoxy)ethoxy]phenyl]ethanone
CID 113427004

Frequently Asked Questions

What is the IUPAC name of 1-[2,3-bis(2-methoxyethoxy)-4-methylphenyl]ethanone?
The IUPAC name of 1-[2,3-bis(2-methoxyethoxy)-4-methylphenyl]ethanone (CID 123152359) is 1-[2,3-bis(2-methoxyethoxy)-4-methylphenyl]ethanone.
What is the SMILES notation for 1-[2,3-bis(2-methoxyethoxy)-4-methylphenyl]ethanone?
The canonical SMILES for 1-[2,3-bis(2-methoxyethoxy)-4-methylphenyl]ethanone is COCCOc1c(C)ccc(C(C)=O)c1OCCOC.
What is the InChIKey of 1-[2,3-bis(2-methoxyethoxy)-4-methylphenyl]ethanone?
The InChIKey is MBLZMCKUIWXNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O5/c1-11-5-6-13(12(2)16)15(20-10-8-18-4)14(11)19-9-7-17-3/h5-6H,7-10H2,1-4H3.
What are the key properties of 1-[2,3-bis(2-methoxyethoxy)-4-methylphenyl]ethanone?
1-[2,3-bis(2-methoxyethoxy)-4-methylphenyl]ethanone has a molecular weight of 282.34 g/mol, XLogP of 2.25, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,3-bis(2-methoxyethoxy)-4-methylphenyl]ethanone is sourced from PubChem (CID 123152359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).