1-[4-[2-[(4-acetylphenoxy)methoxy]ethoxy]phenyl]ethanone

C19H20O5 — CID 20752101

IUPAC1-[4-[2-[(4-acetylphenoxy)methoxy]ethoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCCOCOc2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C19H20O5/c1-14(20)16-3-7-18(8-4-16)23-12-11-22-13-24-19-9-5-17(6-10-19)15(2)21/h3-10H,11-13H2,1-2H3
InChIKeyYWXUCISVNCNMIE-UHFFFAOYSA-N
MW328.36 g/mol
LogP3.52
Rot. Bonds9

About 1-[4-[2-[(4-acetylphenoxy)methoxy]ethoxy]phenyl]ethanone

1-[4-[2-[(4-acetylphenoxy)methoxy]ethoxy]phenyl]ethanone (PubChem CID 20752101) has the molecular formula C19H20O5 and a molecular weight of 328.36 g/mol. Its IUPAC name is 1-[4-[2-[(4-acetylphenoxy)methoxy]ethoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[2-[(4-acetylphenoxy)methoxy]ethoxy]phenyl]ethanone
PubChem CID20752101
Molecular FormulaC19H20O5
Molecular Weight328.36 g/mol
Exact Mass328.13
IUPAC Name1-[4-[2-[(4-acetylphenoxy)methoxy]ethoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCCOCOc2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C19H20O5/c1-14(20)16-3-7-18(8-4-16)23-12-11-22-13-24-19-9-5-17(6-10-19)15(2)21/h3-10H,11-13H2,1-2H3
InChIKeyYWXUCISVNCNMIE-UHFFFAOYSA-N
XLogP3.52
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methane;1-[4-[2-(2-prop-2-enoxyethoxy)ethoxy]phenyl]ethanone
CID 161243882
1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanone
CID 112687603
1-[4-[4-(4-propoxyphenyl)phenyl]phenyl]ethanone
CID 59457885
2-(4-acetylphenoxy)ethylboronic acid
CID 130141835
1-(4-but-3-ynoxyphenyl)ethanone
CID 24705601
1-[4-(methoxymethoxy)phenyl]ethanone;1-phenylethanone
CID 54405970
1-[4-[3-(diethylamino)propoxy]phenyl]ethanone;methane
CID 161301503
1-[4-(iodomethoxy)phenyl]ethanone
CID 118233287
1-[4-[6-[3-[6-(4-acetylphenoxy)hexoxy]phenoxy]hexoxy]phenyl]ethanone
CID 23520521
2-(4-acetylphenoxy)ethylcarbamic acid
CID 69331429
1-[4-(2-ethylsulfanylethoxy)phenyl]ethanone
CID 75372281
N-[2-(4-acetylphenoxy)ethyl]-N-methylacetamide
CID 82037432

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[(4-acetylphenoxy)methoxy]ethoxy]phenyl]ethanone?
The IUPAC name of 1-[4-[2-[(4-acetylphenoxy)methoxy]ethoxy]phenyl]ethanone (CID 20752101) is 1-[4-[2-[(4-acetylphenoxy)methoxy]ethoxy]phenyl]ethanone.
What is the SMILES notation for 1-[4-[2-[(4-acetylphenoxy)methoxy]ethoxy]phenyl]ethanone?
The canonical SMILES for 1-[4-[2-[(4-acetylphenoxy)methoxy]ethoxy]phenyl]ethanone is CC(=O)c1ccc(OCCOCOc2ccc(C(C)=O)cc2)cc1.
What is the InChIKey of 1-[4-[2-[(4-acetylphenoxy)methoxy]ethoxy]phenyl]ethanone?
The InChIKey is YWXUCISVNCNMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O5/c1-14(20)16-3-7-18(8-4-16)23-12-11-22-13-24-19-9-5-17(6-10-19)15(2)21/h3-10H,11-13H2,1-2H3.
What are the key properties of 1-[4-[2-[(4-acetylphenoxy)methoxy]ethoxy]phenyl]ethanone?
1-[4-[2-[(4-acetylphenoxy)methoxy]ethoxy]phenyl]ethanone has a molecular weight of 328.36 g/mol, XLogP of 3.52, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[(4-acetylphenoxy)methoxy]ethoxy]phenyl]ethanone is sourced from PubChem (CID 20752101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).