5-(3,5-dichloro-2-ethoxyphenyl)hexane-2,3-diol

C14H20Cl2O3 — CID 83941281

IUPAC5-(3,5-dichloro-2-ethoxyphenyl)hexane-2,3-diol
SMILESCCOc1c(Cl)cc(Cl)cc1C(C)CC(O)C(C)O
InChIInChI=1S/C14H20Cl2O3/c1-4-19-14-11(6-10(15)7-12(14)16)8(2)5-13(18)9(3)17/h6-9,13,17-18H,4-5H2,1-3H3
InChIKeyFKFRYMJIVCEVDA-UHFFFAOYSA-N
MW307.22 g/mol
LogP3.63
Rot. Bonds6

About 5-(3,5-dichloro-2-ethoxyphenyl)hexane-2,3-diol

5-(3,5-dichloro-2-ethoxyphenyl)hexane-2,3-diol (PubChem CID 83941281) has the molecular formula C14H20Cl2O3 and a molecular weight of 307.22 g/mol. Its IUPAC name is 5-(3,5-dichloro-2-ethoxyphenyl)hexane-2,3-diol.

Molecular Properties

Compound Name5-(3,5-dichloro-2-ethoxyphenyl)hexane-2,3-diol
PubChem CID83941281
Molecular FormulaC14H20Cl2O3
Molecular Weight307.22 g/mol
Exact Mass306.08
IUPAC Name5-(3,5-dichloro-2-ethoxyphenyl)hexane-2,3-diol
SMILESCCOc1c(Cl)cc(Cl)cc1C(C)CC(O)C(C)O
InChIInChI=1S/C14H20Cl2O3/c1-4-19-14-11(6-10(15)7-12(14)16)8(2)5-13(18)9(3)17/h6-9,13,17-18H,4-5H2,1-3H3
InChIKeyFKFRYMJIVCEVDA-UHFFFAOYSA-N
XLogP3.63
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.22
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-4-(3,5-dichloro-2-ethoxyphenyl)pentan-1-ol
CID 83941192
1,5-dichloro-3-(4-chlorobutan-2-yl)-2-ethoxybenzene
CID 83941177
5-(5-chloro-2-propoxyphenyl)hexane-2,3-diol
CID 83933462
2-[2-(3,5-dichloro-2-ethoxyphenyl)propyl]cyclopropane-1-carboxylic acid
CID 83941287
5-(2-chloro-4,5-dimethylphenyl)hexane-2,3-diol
CID 83931560
5-(5-chloro-4-methyl-2-propoxyphenyl)hexane-2,3-diol
CID 83937822
1-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)propan-1-ol
CID 82265954
5-(5-chloro-2-ethoxy-4-methylphenyl)heptane-2,3-diol
CID 83937694
4-(3,5-dichloro-2-propoxyphenyl)pentan-1-amine
CID 83941338
1-(3,5-dichloro-2-propoxyphenyl)ethanamine
CID 82267105
6-(3,5-dichloro-2-ethoxyphenyl)octan-3-one
CID 83941200
1-(3,5-dichloro-2-methoxyphenyl)ethanol
CID 82267021

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dichloro-2-ethoxyphenyl)hexane-2,3-diol?
The IUPAC name of 5-(3,5-dichloro-2-ethoxyphenyl)hexane-2,3-diol (CID 83941281) is 5-(3,5-dichloro-2-ethoxyphenyl)hexane-2,3-diol.
What is the SMILES notation for 5-(3,5-dichloro-2-ethoxyphenyl)hexane-2,3-diol?
The canonical SMILES for 5-(3,5-dichloro-2-ethoxyphenyl)hexane-2,3-diol is CCOc1c(Cl)cc(Cl)cc1C(C)CC(O)C(C)O.
What is the InChIKey of 5-(3,5-dichloro-2-ethoxyphenyl)hexane-2,3-diol?
The InChIKey is FKFRYMJIVCEVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2O3/c1-4-19-14-11(6-10(15)7-12(14)16)8(2)5-13(18)9(3)17/h6-9,13,17-18H,4-5H2,1-3H3.
What are the key properties of 5-(3,5-dichloro-2-ethoxyphenyl)hexane-2,3-diol?
5-(3,5-dichloro-2-ethoxyphenyl)hexane-2,3-diol has a molecular weight of 307.22 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dichloro-2-ethoxyphenyl)hexane-2,3-diol is sourced from PubChem (CID 83941281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).