2-[4-(4-chlorophenoxy)phenoxy]propyl acetate

C17H17ClO4 — CID 54569126

IUPAC2-[4-(4-chlorophenoxy)phenoxy]propyl acetate
SMILESCC(=O)OCC(C)Oc1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H17ClO4/c1-12(11-20-13(2)19)21-15-7-9-17(10-8-15)22-16-5-3-14(18)4-6-16/h3-10,12H,11H2,1-2H3
InChIKeyZVZITYQMBMZEAN-UHFFFAOYSA-N
MW320.77 g/mol
LogP4.46
Rot. Bonds6

About 2-[4-(4-chlorophenoxy)phenoxy]propyl acetate

2-[4-(4-chlorophenoxy)phenoxy]propyl acetate (PubChem CID 54569126) has the molecular formula C17H17ClO4 and a molecular weight of 320.77 g/mol. Its IUPAC name is 2-[4-(4-chlorophenoxy)phenoxy]propyl acetate.

Molecular Properties

Compound Name2-[4-(4-chlorophenoxy)phenoxy]propyl acetate
PubChem CID54569126
Molecular FormulaC17H17ClO4
Molecular Weight320.77 g/mol
Exact Mass320.08
IUPAC Name2-[4-(4-chlorophenoxy)phenoxy]propyl acetate
SMILESCC(=O)OCC(C)Oc1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H17ClO4/c1-12(11-20-13(2)19)21-15-7-9-17(10-8-15)22-16-5-3-14(18)4-6-16/h3-10,12H,11H2,1-2H3
InChIKeyZVZITYQMBMZEAN-UHFFFAOYSA-N
XLogP4.46
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.77
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-2-(4-phenoxyphenoxy)propyl] acetate
CID 10589281
2-(4-chlorophenoxy)propyl propanoate
CID 174445519
3-acetyloxy-2-(4-chlorophenoxy)propanoic acid
CID 172798358
4-(4-chlorophenoxy)pentan-2-one
CID 64698945
2-[2-(4-chlorophenoxy)propoxyamino]prop-2-enoic acid
CID 57013683
1-butan-2-yloxy-4-chlorobenzene
CID 14121698
methane;sulfonylmethyl 2-[4-(4-chlorophenoxy)phenoxy]propanoate
CID 88741989
2-(4-chlorophenoxy)-2-[4-[2-(4-chlorophenoxy)propoxy]phenyl]acetic acid
CID 22761125
2-amino-N-[2-(4-chlorophenoxy)propyl]acetamide;hydrochloride
CID 119335581
2-[4-(4-chlorophenoxy)phenoxy]propanethioamide
CID 12804845
4-chloro-N-[2-(4-chlorophenoxy)propyl]benzamide
CID 51065326
(2S)-2-amino-N-[2-(4-chlorophenoxy)propyl]-3-methylbutanamide
CID 15239278

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenoxy)phenoxy]propyl acetate?
The IUPAC name of 2-[4-(4-chlorophenoxy)phenoxy]propyl acetate (CID 54569126) is 2-[4-(4-chlorophenoxy)phenoxy]propyl acetate.
What is the SMILES notation for 2-[4-(4-chlorophenoxy)phenoxy]propyl acetate?
The canonical SMILES for 2-[4-(4-chlorophenoxy)phenoxy]propyl acetate is CC(=O)OCC(C)Oc1ccc(Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[4-(4-chlorophenoxy)phenoxy]propyl acetate?
The InChIKey is ZVZITYQMBMZEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO4/c1-12(11-20-13(2)19)21-15-7-9-17(10-8-15)22-16-5-3-14(18)4-6-16/h3-10,12H,11H2,1-2H3.
What are the key properties of 2-[4-(4-chlorophenoxy)phenoxy]propyl acetate?
2-[4-(4-chlorophenoxy)phenoxy]propyl acetate has a molecular weight of 320.77 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenoxy)phenoxy]propyl acetate is sourced from PubChem (CID 54569126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).