5-(5-chloro-2,4-diethoxyphenyl)pentane-2,3-diol

C15H23ClO4 — CID 83943497

IUPAC5-(5-chloro-2,4-diethoxyphenyl)pentane-2,3-diol
SMILESCCOc1cc(OCC)c(CCC(O)C(C)O)cc1Cl
InChIInChI=1S/C15H23ClO4/c1-4-19-14-9-15(20-5-2)12(16)8-11(14)6-7-13(18)10(3)17/h8-10,13,17-18H,4-7H2,1-3H3
InChIKeyKMKRGJDXBLKSGQ-UHFFFAOYSA-N
MW302.80 g/mol
LogP2.81
Rot. Bonds8

About 5-(5-chloro-2,4-diethoxyphenyl)pentane-2,3-diol

5-(5-chloro-2,4-diethoxyphenyl)pentane-2,3-diol (PubChem CID 83943497) has the molecular formula C15H23ClO4 and a molecular weight of 302.80 g/mol. Its IUPAC name is 5-(5-chloro-2,4-diethoxyphenyl)pentane-2,3-diol.

Molecular Properties

Compound Name5-(5-chloro-2,4-diethoxyphenyl)pentane-2,3-diol
PubChem CID83943497
Molecular FormulaC15H23ClO4
Molecular Weight302.80 g/mol
Exact Mass302.13
IUPAC Name5-(5-chloro-2,4-diethoxyphenyl)pentane-2,3-diol
SMILESCCOc1cc(OCC)c(CCC(O)C(C)O)cc1Cl
InChIInChI=1S/C15H23ClO4/c1-4-19-14-9-15(20-5-2)12(16)8-11(14)6-7-13(18)10(3)17/h8-10,13,17-18H,4-7H2,1-3H3
InChIKeyKMKRGJDXBLKSGQ-UHFFFAOYSA-N
XLogP2.81
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.80
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-chloro-2,4-diethoxyphenyl)butane-1,2-diol
CID 83943487
5-(5-chloro-4-methyl-2-propoxyphenyl)pentane-2,3-diol
CID 83937823
2-[2-(5-chloro-2,4-diethoxyphenyl)ethyl]propane-1,3-diamine
CID 83943406
5-(5-chloro-2-methoxy-4-methylphenyl)pentane-2,3-diol
CID 83937566
1-(2-chloro-4,5-diethoxyphenyl)hexane-3,4-diol
CID 83943792
5-(3-chloro-6-ethoxy-2,4-dimethylphenyl)pentane-2,3-diol
CID 83937949
1-(5-chloro-2,4-diethoxyphenyl)heptan-4-amine
CID 83943404
3-(5-chloro-2,4-diethoxyphenyl)-2-methylpropane-1-thiol
CID 83943394
1-chloro-2,4-diethoxy-5-(2-methylbut-3-ynyl)benzene
CID 83943457
4-[2-(5-chloro-2,4-diethoxyphenyl)ethyl]-2H-triazole
CID 112719678
5-(5-chloro-2,4-dipropoxyphenyl)pentan-2-amine
CID 83943522
1-(5-chloro-4-methyl-2-propoxyphenyl)heptane-3,4-diol
CID 83937827

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2,4-diethoxyphenyl)pentane-2,3-diol?
The IUPAC name of 5-(5-chloro-2,4-diethoxyphenyl)pentane-2,3-diol (CID 83943497) is 5-(5-chloro-2,4-diethoxyphenyl)pentane-2,3-diol.
What is the SMILES notation for 5-(5-chloro-2,4-diethoxyphenyl)pentane-2,3-diol?
The canonical SMILES for 5-(5-chloro-2,4-diethoxyphenyl)pentane-2,3-diol is CCOc1cc(OCC)c(CCC(O)C(C)O)cc1Cl.
What is the InChIKey of 5-(5-chloro-2,4-diethoxyphenyl)pentane-2,3-diol?
The InChIKey is KMKRGJDXBLKSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClO4/c1-4-19-14-9-15(20-5-2)12(16)8-11(14)6-7-13(18)10(3)17/h8-10,13,17-18H,4-7H2,1-3H3.
What are the key properties of 5-(5-chloro-2,4-diethoxyphenyl)pentane-2,3-diol?
5-(5-chloro-2,4-diethoxyphenyl)pentane-2,3-diol has a molecular weight of 302.80 g/mol, XLogP of 2.81, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2,4-diethoxyphenyl)pentane-2,3-diol is sourced from PubChem (CID 83943497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).