4-(3,5-dichloro-2-propoxyphenyl)butane-1,2-diol

C13H18Cl2O3 — CID 83941376

IUPAC4-(3,5-dichloro-2-propoxyphenyl)butane-1,2-diol
SMILESCCCOc1c(Cl)cc(Cl)cc1CCC(O)CO
InChIInChI=1S/C13H18Cl2O3/c1-2-5-18-13-9(3-4-11(17)8-16)6-10(14)7-12(13)15/h6-7,11,16-17H,2-5,8H2,1H3
InChIKeyUCJZFHPBDJVEAB-UHFFFAOYSA-N
MW293.19 g/mol
LogP3.07
Rot. Bonds7

About 4-(3,5-dichloro-2-propoxyphenyl)butane-1,2-diol

4-(3,5-dichloro-2-propoxyphenyl)butane-1,2-diol (PubChem CID 83941376) has the molecular formula C13H18Cl2O3 and a molecular weight of 293.19 g/mol. Its IUPAC name is 4-(3,5-dichloro-2-propoxyphenyl)butane-1,2-diol.

Molecular Properties

Compound Name4-(3,5-dichloro-2-propoxyphenyl)butane-1,2-diol
PubChem CID83941376
Molecular FormulaC13H18Cl2O3
Molecular Weight293.19 g/mol
Exact Mass292.06
IUPAC Name4-(3,5-dichloro-2-propoxyphenyl)butane-1,2-diol
SMILESCCCOc1c(Cl)cc(Cl)cc1CCC(O)CO
InChIInChI=1S/C13H18Cl2O3/c1-2-5-18-13-9(3-4-11(17)8-16)6-10(14)7-12(13)15/h6-7,11,16-17H,2-5,8H2,1H3
InChIKeyUCJZFHPBDJVEAB-UHFFFAOYSA-N
XLogP3.07
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.19
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3,5-dichloro-2-propoxyphenyl)ethyl]propane-1,3-diol
CID 83941330
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
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
4-(2,4-dichlorophenyl)butane-1,2-diol
CID 57073476
2-(3,5-dichloro-2-nonoxyphenyl)ethanamine
CID 63421467
4-(5-chloro-2,4-diethoxyphenyl)butane-1,2-diol
CID 83943487

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dichloro-2-propoxyphenyl)butane-1,2-diol?
The IUPAC name of 4-(3,5-dichloro-2-propoxyphenyl)butane-1,2-diol (CID 83941376) is 4-(3,5-dichloro-2-propoxyphenyl)butane-1,2-diol.
What is the SMILES notation for 4-(3,5-dichloro-2-propoxyphenyl)butane-1,2-diol?
The canonical SMILES for 4-(3,5-dichloro-2-propoxyphenyl)butane-1,2-diol is CCCOc1c(Cl)cc(Cl)cc1CCC(O)CO.
What is the InChIKey of 4-(3,5-dichloro-2-propoxyphenyl)butane-1,2-diol?
The InChIKey is UCJZFHPBDJVEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2O3/c1-2-5-18-13-9(3-4-11(17)8-16)6-10(14)7-12(13)15/h6-7,11,16-17H,2-5,8H2,1H3.
What are the key properties of 4-(3,5-dichloro-2-propoxyphenyl)butane-1,2-diol?
4-(3,5-dichloro-2-propoxyphenyl)butane-1,2-diol has a molecular weight of 293.19 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dichloro-2-propoxyphenyl)butane-1,2-diol is sourced from PubChem (CID 83941376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).