4-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)hexane-1,2-diol

C17H27ClO3 — CID 83938916

IUPAC4-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)hexane-1,2-diol
SMILESCCOc1c(C(C)C)cc(Cl)cc1C(CC)CC(O)CO
InChIInChI=1S/C17H27ClO3/c1-5-12(7-14(20)10-19)16-9-13(18)8-15(11(3)4)17(16)21-6-2/h8-9,11-12,14,19-20H,5-7,10H2,1-4H3
InChIKeyUXJWIYRJSXJOTJ-UHFFFAOYSA-N
MW314.85 g/mol
LogP4.10
Rot. Bonds8

About 4-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)hexane-1,2-diol

4-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)hexane-1,2-diol (PubChem CID 83938916) has the molecular formula C17H27ClO3 and a molecular weight of 314.85 g/mol. Its IUPAC name is 4-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)hexane-1,2-diol.

Molecular Properties

Compound Name4-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)hexane-1,2-diol
PubChem CID83938916
Molecular FormulaC17H27ClO3
Molecular Weight314.85 g/mol
Exact Mass314.16
IUPAC Name4-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)hexane-1,2-diol
SMILESCCOc1c(C(C)C)cc(Cl)cc1C(CC)CC(O)CO
InChIInChI=1S/C17H27ClO3/c1-5-12(7-14(20)10-19)16-9-13(18)8-15(11(3)4)17(16)21-6-2/h8-9,11-12,14,19-20H,5-7,10H2,1-4H3
InChIKeyUXJWIYRJSXJOTJ-UHFFFAOYSA-N
XLogP4.10
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.85
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-4-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)hexan-1-ol
CID 83938830
2-[2-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)butyl]propane-1,3-diamine
CID 83938825
1-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)propan-1-ol
CID 82265954
5-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)heptan-2-amine
CID 83938866
5-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)heptan-2-one
CID 83938826
4-(3,5-dichlorophenyl)hexane-1,2-diol
CID 83924877
4-(5-chloro-2,3,4-trimethoxyphenyl)hexane-1,2-diol
CID 83925663
1-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)ethanamine
CID 82265941
4-(2-chloro-4,5-dimethylphenyl)hexane-1,2-diol
CID 83931558
2-amino-1-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)-4-(methylamino)butan-1-ol
CID 83938839
4-(5-chloro-2-ethoxyphenyl)pentane-1,2-diol
CID 83933329
4-(3,4-diethoxyphenyl)hexane-1,2-diol
CID 83923632

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)hexane-1,2-diol?
The IUPAC name of 4-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)hexane-1,2-diol (CID 83938916) is 4-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)hexane-1,2-diol.
What is the SMILES notation for 4-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)hexane-1,2-diol?
The canonical SMILES for 4-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)hexane-1,2-diol is CCOc1c(C(C)C)cc(Cl)cc1C(CC)CC(O)CO.
What is the InChIKey of 4-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)hexane-1,2-diol?
The InChIKey is UXJWIYRJSXJOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClO3/c1-5-12(7-14(20)10-19)16-9-13(18)8-15(11(3)4)17(16)21-6-2/h8-9,11-12,14,19-20H,5-7,10H2,1-4H3.
What are the key properties of 4-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)hexane-1,2-diol?
4-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)hexane-1,2-diol has a molecular weight of 314.85 g/mol, XLogP of 4.10, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)hexane-1,2-diol is sourced from PubChem (CID 83938916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).