2-[4-(2,4-dichlorophenoxy)phenoxy]propan-1-ol

C15H14Cl2O3 — CID 12804883

IUPAC2-[4-(2,4-dichlorophenoxy)phenoxy]propan-1-ol
SMILESCC(CO)Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C15H14Cl2O3/c1-10(9-18)19-12-3-5-13(6-4-12)20-15-7-2-11(16)8-14(15)17/h2-8,10,18H,9H2,1H3
InChIKeyXXTUBDMAPZYHMX-UHFFFAOYSA-N
MW313.18 g/mol
LogP4.55
Rot. Bonds5

About 2-[4-(2,4-dichlorophenoxy)phenoxy]propan-1-ol

2-[4-(2,4-dichlorophenoxy)phenoxy]propan-1-ol (PubChem CID 12804883) has the molecular formula C15H14Cl2O3 and a molecular weight of 313.18 g/mol. Its IUPAC name is 2-[4-(2,4-dichlorophenoxy)phenoxy]propan-1-ol.

Molecular Properties

Compound Name2-[4-(2,4-dichlorophenoxy)phenoxy]propan-1-ol
PubChem CID12804883
Molecular FormulaC15H14Cl2O3
Molecular Weight313.18 g/mol
Exact Mass312.03
IUPAC Name2-[4-(2,4-dichlorophenoxy)phenoxy]propan-1-ol
SMILESCC(CO)Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C15H14Cl2O3/c1-10(9-18)19-12-3-5-13(6-4-12)20-15-7-2-11(16)8-14(15)17/h2-8,10,18H,9H2,1H3
InChIKeyXXTUBDMAPZYHMX-UHFFFAOYSA-N
XLogP4.55
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.18
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate
CID 12767799
(2S)-2-[4-(2,4-dichlorophenoxy)phenoxy]butanoic acid
CID 67627355
3-[4-(2,4-dichlorophenoxy)phenyl]butane-1,3-diol
CID 21322564
2,4-dichloro-1-[2-(4-fluorophenoxy)propoxy]benzene
CID 57170883
[4-(2,4-dichlorophenoxy)phenyl] propanoate
CID 67553768
2-[4-(4-bromophenoxy)phenoxy]propan-1-ol
CID 21408033
methyl 4-(2,4-dichlorophenoxy)benzoate
CID 28911715
ethane;2-(4-propan-2-ylphenoxy)propan-1-ol
CID 144970889
2,5-dichloro-4-(4-propan-2-yloxyphenoxy)phenol
CID 21466158
2,4-dichloro-1-(3,5-dimethoxyphenoxy)benzene
CID 102485149
(1-phenylethenylamino)oxymethyl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate
CID 57317198
5-chloro-2-(2,4-dichlorophenoxy)phenol;ethanol
CID 67724550

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-dichlorophenoxy)phenoxy]propan-1-ol?
The IUPAC name of 2-[4-(2,4-dichlorophenoxy)phenoxy]propan-1-ol (CID 12804883) is 2-[4-(2,4-dichlorophenoxy)phenoxy]propan-1-ol.
What is the SMILES notation for 2-[4-(2,4-dichlorophenoxy)phenoxy]propan-1-ol?
The canonical SMILES for 2-[4-(2,4-dichlorophenoxy)phenoxy]propan-1-ol is CC(CO)Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 2-[4-(2,4-dichlorophenoxy)phenoxy]propan-1-ol?
The InChIKey is XXTUBDMAPZYHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2O3/c1-10(9-18)19-12-3-5-13(6-4-12)20-15-7-2-11(16)8-14(15)17/h2-8,10,18H,9H2,1H3.
What are the key properties of 2-[4-(2,4-dichlorophenoxy)phenoxy]propan-1-ol?
2-[4-(2,4-dichlorophenoxy)phenoxy]propan-1-ol has a molecular weight of 313.18 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-dichlorophenoxy)phenoxy]propan-1-ol is sourced from PubChem (CID 12804883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).