4-(5-chloro-2,4-diethoxyphenyl)butane-1,2-diol

C14H21ClO4 — CID 83943487

IUPAC4-(5-chloro-2,4-diethoxyphenyl)butane-1,2-diol
SMILESCCOc1cc(OCC)c(CCC(O)CO)cc1Cl
InChIInChI=1S/C14H21ClO4/c1-3-18-13-8-14(19-4-2)12(15)7-10(13)5-6-11(17)9-16/h7-8,11,16-17H,3-6,9H2,1-2H3
InChIKeyIIUDCYYAFYAIRS-UHFFFAOYSA-N
MW288.77 g/mol
LogP2.42
Rot. Bonds8

About 4-(5-chloro-2,4-diethoxyphenyl)butane-1,2-diol

4-(5-chloro-2,4-diethoxyphenyl)butane-1,2-diol (PubChem CID 83943487) has the molecular formula C14H21ClO4 and a molecular weight of 288.77 g/mol. Its IUPAC name is 4-(5-chloro-2,4-diethoxyphenyl)butane-1,2-diol.

Molecular Properties

Compound Name4-(5-chloro-2,4-diethoxyphenyl)butane-1,2-diol
PubChem CID83943487
Molecular FormulaC14H21ClO4
Molecular Weight288.77 g/mol
Exact Mass288.11
IUPAC Name4-(5-chloro-2,4-diethoxyphenyl)butane-1,2-diol
SMILESCCOc1cc(OCC)c(CCC(O)CO)cc1Cl
InChIInChI=1S/C14H21ClO4/c1-3-18-13-8-14(19-4-2)12(15)7-10(13)5-6-11(17)9-16/h7-8,11,16-17H,3-6,9H2,1-2H3
InChIKeyIIUDCYYAFYAIRS-UHFFFAOYSA-N
XLogP2.42
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.77
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5-chloro-2,4-diethoxyphenyl)pentane-2,3-diol
CID 83943497
4-(5-chloro-2,4-dimethoxyphenyl)butane-1,2-diol
CID 83943367
2-[2-(5-chloro-2,4-diethoxyphenyl)ethyl]propane-1,3-diamine
CID 83943406
4-(5-chloro-2,4-diethoxyphenyl)pentane-1,2-diol
CID 83943493
4-[2-ethoxy-5-(trifluoromethyl)phenyl]butane-1,2-diol
CID 83921247
1-(5-chloro-2,4-diethoxyphenyl)heptan-4-amine
CID 83943404
2-(aminomethyl)-4-(5-chloro-2-ethoxy-4-methylphenyl)butan-1-ol
CID 83937598
3-(5-chloro-2,4-diethoxyphenyl)-2-methylpropane-1-thiol
CID 83943394
4-[2-(5-chloro-2,4-diethoxyphenyl)ethyl]-2H-triazole
CID 112719678
4-(3,5-dichloro-2-propoxyphenyl)butane-1,2-diol
CID 83941376
5-(5-chloro-2,4-dipropoxyphenyl)pentan-2-amine
CID 83943522
1-(2-chloro-4,5-diethoxyphenyl)hexane-3,4-diol
CID 83943792

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2,4-diethoxyphenyl)butane-1,2-diol?
The IUPAC name of 4-(5-chloro-2,4-diethoxyphenyl)butane-1,2-diol (CID 83943487) is 4-(5-chloro-2,4-diethoxyphenyl)butane-1,2-diol.
What is the SMILES notation for 4-(5-chloro-2,4-diethoxyphenyl)butane-1,2-diol?
The canonical SMILES for 4-(5-chloro-2,4-diethoxyphenyl)butane-1,2-diol is CCOc1cc(OCC)c(CCC(O)CO)cc1Cl.
What is the InChIKey of 4-(5-chloro-2,4-diethoxyphenyl)butane-1,2-diol?
The InChIKey is IIUDCYYAFYAIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClO4/c1-3-18-13-8-14(19-4-2)12(15)7-10(13)5-6-11(17)9-16/h7-8,11,16-17H,3-6,9H2,1-2H3.
What are the key properties of 4-(5-chloro-2,4-diethoxyphenyl)butane-1,2-diol?
4-(5-chloro-2,4-diethoxyphenyl)butane-1,2-diol has a molecular weight of 288.77 g/mol, XLogP of 2.42, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2,4-diethoxyphenyl)butane-1,2-diol is sourced from PubChem (CID 83943487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).