1-[4-[4-(2-oxopropoxy)phenoxy]phenoxy]propan-2-one

C18H18O5 — CID 134691477

IUPAC1-[4-[4-(2-oxopropoxy)phenoxy]phenoxy]propan-2-one
SMILESCC(=O)COc1ccc(Oc2ccc(OCC(C)=O)cc2)cc1
InChIInChI=1S/C18H18O5/c1-13(19)11-21-15-3-7-17(8-4-15)23-18-9-5-16(6-10-18)22-12-14(2)20/h3-10H,11-12H2,1-2H3
InChIKeyNELBYNHDDHNNPJ-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.41
Rot. Bonds8

About 1-[4-[4-(2-oxopropoxy)phenoxy]phenoxy]propan-2-one

1-[4-[4-(2-oxopropoxy)phenoxy]phenoxy]propan-2-one (PubChem CID 134691477) has the molecular formula C18H18O5 and a molecular weight of 314.34 g/mol. Its IUPAC name is 1-[4-[4-(2-oxopropoxy)phenoxy]phenoxy]propan-2-one.

Molecular Properties

Compound Name1-[4-[4-(2-oxopropoxy)phenoxy]phenoxy]propan-2-one
PubChem CID134691477
Molecular FormulaC18H18O5
Molecular Weight314.34 g/mol
Exact Mass314.12
IUPAC Name1-[4-[4-(2-oxopropoxy)phenoxy]phenoxy]propan-2-one
SMILESCC(=O)COc1ccc(Oc2ccc(OCC(C)=O)cc2)cc1
InChIInChI=1S/C18H18O5/c1-13(19)11-21-15-3-7-17(8-4-15)23-18-9-5-16(6-10-18)22-12-14(2)20/h3-10H,11-12H2,1-2H3
InChIKeyNELBYNHDDHNNPJ-UHFFFAOYSA-N
XLogP3.41
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-[4-(2-oxopropoxy)phenoxy]phenoxy]propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-ethylphenoxy)propan-2-one
CID 21325379
1-[4-(4-iodophenyl)phenoxy]propan-2-one
CID 60624034
2-[4-(2-oxopropoxy)phenyl]propanedioic acid
CID 67574967
1-(4-butan-2-ylphenoxy)propan-2-one
CID 59101826
1-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propan-2-one
CID 43411675
1-(4-iodo-3-methoxyphenoxy)propan-2-one
CID 59267144
1-[4-[1-[4-(2-oxopropoxy)phenyl]cyclohexyl]phenoxy]propan-2-one
CID 138403046
methyl (2R)-2-hydroxy-2-[4-(2-oxopropoxy)phenyl]acetate
CID 67575819
1-[4-(4-aminobutyl)phenoxy]propan-2-one
CID 59750591
methyl 2-amino-3-[4-(2-oxopropoxy)phenyl]propanoate
CID 143703835
methyl 2-chloro-2-[4-(2-oxopropoxy)phenyl]acetate
CID 174270633
1-(3,5-dimethoxyphenoxy)propan-2-one
CID 43411971

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2-oxopropoxy)phenoxy]phenoxy]propan-2-one?
The IUPAC name of 1-[4-[4-(2-oxopropoxy)phenoxy]phenoxy]propan-2-one (CID 134691477) is 1-[4-[4-(2-oxopropoxy)phenoxy]phenoxy]propan-2-one.
What is the SMILES notation for 1-[4-[4-(2-oxopropoxy)phenoxy]phenoxy]propan-2-one?
The canonical SMILES for 1-[4-[4-(2-oxopropoxy)phenoxy]phenoxy]propan-2-one is CC(=O)COc1ccc(Oc2ccc(OCC(C)=O)cc2)cc1.
What is the InChIKey of 1-[4-[4-(2-oxopropoxy)phenoxy]phenoxy]propan-2-one?
The InChIKey is NELBYNHDDHNNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O5/c1-13(19)11-21-15-3-7-17(8-4-15)23-18-9-5-16(6-10-18)22-12-14(2)20/h3-10H,11-12H2,1-2H3.
What are the key properties of 1-[4-[4-(2-oxopropoxy)phenoxy]phenoxy]propan-2-one?
1-[4-[4-(2-oxopropoxy)phenoxy]phenoxy]propan-2-one has a molecular weight of 314.34 g/mol, XLogP of 3.41, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(2-oxopropoxy)phenoxy]phenoxy]propan-2-one is sourced from PubChem (CID 134691477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).