5-(3-chloro-6-ethoxy-2,4-dimethylphenyl)pentane-2,3-diol

C15H23ClO3 — CID 83937949

IUPAC5-(3-chloro-6-ethoxy-2,4-dimethylphenyl)pentane-2,3-diol
SMILESCCOc1cc(C)c(Cl)c(C)c1CCC(O)C(C)O
InChIInChI=1S/C15H23ClO3/c1-5-19-14-8-9(2)15(16)10(3)12(14)6-7-13(18)11(4)17/h8,11,13,17-18H,5-7H2,1-4H3
InChIKeyYDZRPWMPJJBJSU-UHFFFAOYSA-N
MW286.80 g/mol
LogP3.03
Rot. Bonds6

About 5-(3-chloro-6-ethoxy-2,4-dimethylphenyl)pentane-2,3-diol

5-(3-chloro-6-ethoxy-2,4-dimethylphenyl)pentane-2,3-diol (PubChem CID 83937949) has the molecular formula C15H23ClO3 and a molecular weight of 286.80 g/mol. Its IUPAC name is 5-(3-chloro-6-ethoxy-2,4-dimethylphenyl)pentane-2,3-diol.

Molecular Properties

Compound Name5-(3-chloro-6-ethoxy-2,4-dimethylphenyl)pentane-2,3-diol
PubChem CID83937949
Molecular FormulaC15H23ClO3
Molecular Weight286.80 g/mol
Exact Mass286.13
IUPAC Name5-(3-chloro-6-ethoxy-2,4-dimethylphenyl)pentane-2,3-diol
SMILESCCOc1cc(C)c(Cl)c(C)c1CCC(O)C(C)O
InChIInChI=1S/C15H23ClO3/c1-5-19-14-8-9(2)15(16)10(3)12(14)6-7-13(18)11(4)17/h8,11,13,17-18H,5-7H2,1-4H3
InChIKeyYDZRPWMPJJBJSU-UHFFFAOYSA-N
XLogP3.03
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-ethoxy-2,3,6-trimethylphenyl)pentane-2,3-diol
CID 83939528
5-(3-chloro-6-ethoxy-2,4-dimethylphenyl)pentan-2-amine
CID 83937893
3-(3-chloro-6-ethoxy-2,4-dimethylphenyl)propan-1-amine
CID 82265297
4-(3-chloro-6-ethoxy-2,4-dimethylphenyl)butan-1-amine
CID 83937899
5-(5-chloro-2,4-diethoxyphenyl)pentane-2,3-diol
CID 83943497
4-(3-chloro-6-ethoxy-2,4-dimethylphenyl)-3-methylbutanethioamide
CID 83937886
2-[1-(3-chloro-6-ethoxy-2,4-dimethylphenyl)propan-2-yl]-3-ethyloxirane
CID 83937936
5-(5-chloro-4-methyl-2-propoxyphenyl)pentane-2,3-diol
CID 83937823
3-chloro-6-ethoxy-2,4-dimethylaniline
CID 82053344
4-amino-1-(5-chloro-2-ethoxy-3,6-dimethylphenyl)pentan-3-ol
CID 83940663
1-[2-(3-chloro-6-ethoxy-2,4-dimethylphenyl)ethyl]piperazine
CID 82265314
5-(5-chloro-2-ethoxy-4-methylphenyl)heptane-2,3-diol
CID 83937694

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-6-ethoxy-2,4-dimethylphenyl)pentane-2,3-diol?
The IUPAC name of 5-(3-chloro-6-ethoxy-2,4-dimethylphenyl)pentane-2,3-diol (CID 83937949) is 5-(3-chloro-6-ethoxy-2,4-dimethylphenyl)pentane-2,3-diol.
What is the SMILES notation for 5-(3-chloro-6-ethoxy-2,4-dimethylphenyl)pentane-2,3-diol?
The canonical SMILES for 5-(3-chloro-6-ethoxy-2,4-dimethylphenyl)pentane-2,3-diol is CCOc1cc(C)c(Cl)c(C)c1CCC(O)C(C)O.
What is the InChIKey of 5-(3-chloro-6-ethoxy-2,4-dimethylphenyl)pentane-2,3-diol?
The InChIKey is YDZRPWMPJJBJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClO3/c1-5-19-14-8-9(2)15(16)10(3)12(14)6-7-13(18)11(4)17/h8,11,13,17-18H,5-7H2,1-4H3.
What are the key properties of 5-(3-chloro-6-ethoxy-2,4-dimethylphenyl)pentane-2,3-diol?
5-(3-chloro-6-ethoxy-2,4-dimethylphenyl)pentane-2,3-diol has a molecular weight of 286.80 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-6-ethoxy-2,4-dimethylphenyl)pentane-2,3-diol is sourced from PubChem (CID 83937949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).