2-[2-(3,5-dichloro-2-propoxyphenyl)ethyl]propane-1,3-diol

C14H20Cl2O3 — CID 83941330

IUPAC2-[2-(3,5-dichloro-2-propoxyphenyl)ethyl]propane-1,3-diol
SMILESCCCOc1c(Cl)cc(Cl)cc1CCC(CO)CO
InChIInChI=1S/C14H20Cl2O3/c1-2-5-19-14-11(4-3-10(8-17)9-18)6-12(15)7-13(14)16/h6-7,10,17-18H,2-5,8-9H2,1H3
InChIKeyRZFUVTBVIHEYDF-UHFFFAOYSA-N
MW307.22 g/mol
LogP3.32
Rot. Bonds8

About 2-[2-(3,5-dichloro-2-propoxyphenyl)ethyl]propane-1,3-diol

2-[2-(3,5-dichloro-2-propoxyphenyl)ethyl]propane-1,3-diol (PubChem CID 83941330) has the molecular formula C14H20Cl2O3 and a molecular weight of 307.22 g/mol. Its IUPAC name is 2-[2-(3,5-dichloro-2-propoxyphenyl)ethyl]propane-1,3-diol.

Molecular Properties

Compound Name2-[2-(3,5-dichloro-2-propoxyphenyl)ethyl]propane-1,3-diol
PubChem CID83941330
Molecular FormulaC14H20Cl2O3
Molecular Weight307.22 g/mol
Exact Mass306.08
IUPAC Name2-[2-(3,5-dichloro-2-propoxyphenyl)ethyl]propane-1,3-diol
SMILESCCCOc1c(Cl)cc(Cl)cc1CCC(CO)CO
InChIInChI=1S/C14H20Cl2O3/c1-2-5-19-14-11(4-3-10(8-17)9-18)6-12(15)7-13(14)16/h6-7,10,17-18H,2-5,8-9H2,1H3
InChIKeyRZFUVTBVIHEYDF-UHFFFAOYSA-N
XLogP3.32
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.22
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,5-dichloro-2-propoxyphenyl)butane-1,2-diol
CID 83941376
4-amino-1-(3,5-dichloro-2-propoxyphenyl)pentan-3-ol
CID 83941378
3-(3,5-dichloro-2-propoxyphenyl)propanoic acid
CID 82267091
6-(3,5-dichloro-2-propoxyphenyl)hexan-3-amine
CID 83941333
(2R)-2-[(3,5-dichloro-2-propoxyphenyl)methylamino]butan-1-ol
CID 29225195
2-[2-(3,5-dichloro-2-ethoxyphenyl)ethyl]propane-1,3-diamine
CID 83941186
4-(3,5-dichloro-2-propoxyphenyl)butanethioamide
CID 83941328
1-[2-(3,5-dichloro-2-propoxyphenyl)ethyl]piperazine
CID 82267120
[3,5-dichloro-2-(3-methylbutoxy)phenyl]methanol
CID 43516162
3,5-dichloro-2-propoxyphenol
CID 82267104
2-[2-(2,3-dimethyl-4-propoxyphenyl)ethyl]propane-1,3-diol
CID 83939972
2-(3,5-dichloro-2-nonoxyphenyl)ethanamine
CID 63421467

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dichloro-2-propoxyphenyl)ethyl]propane-1,3-diol?
The IUPAC name of 2-[2-(3,5-dichloro-2-propoxyphenyl)ethyl]propane-1,3-diol (CID 83941330) is 2-[2-(3,5-dichloro-2-propoxyphenyl)ethyl]propane-1,3-diol.
What is the SMILES notation for 2-[2-(3,5-dichloro-2-propoxyphenyl)ethyl]propane-1,3-diol?
The canonical SMILES for 2-[2-(3,5-dichloro-2-propoxyphenyl)ethyl]propane-1,3-diol is CCCOc1c(Cl)cc(Cl)cc1CCC(CO)CO.
What is the InChIKey of 2-[2-(3,5-dichloro-2-propoxyphenyl)ethyl]propane-1,3-diol?
The InChIKey is RZFUVTBVIHEYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2O3/c1-2-5-19-14-11(4-3-10(8-17)9-18)6-12(15)7-13(14)16/h6-7,10,17-18H,2-5,8-9H2,1H3.
What are the key properties of 2-[2-(3,5-dichloro-2-propoxyphenyl)ethyl]propane-1,3-diol?
2-[2-(3,5-dichloro-2-propoxyphenyl)ethyl]propane-1,3-diol has a molecular weight of 307.22 g/mol, XLogP of 3.32, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dichloro-2-propoxyphenyl)ethyl]propane-1,3-diol is sourced from PubChem (CID 83941330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).