5-(5-chloro-2-propoxyphenyl)hexane-2,3-diol

C15H23ClO3 — CID 83933462

IUPAC5-(5-chloro-2-propoxyphenyl)hexane-2,3-diol
SMILESCCCOc1ccc(Cl)cc1C(C)CC(O)C(C)O
InChIInChI=1S/C15H23ClO3/c1-4-7-19-15-6-5-12(16)9-13(15)10(2)8-14(18)11(3)17/h5-6,9-11,14,17-18H,4,7-8H2,1-3H3
InChIKeyZKOPAPUOLBJYFE-UHFFFAOYSA-N
MW286.80 g/mol
LogP3.36
Rot. Bonds7

About 5-(5-chloro-2-propoxyphenyl)hexane-2,3-diol

5-(5-chloro-2-propoxyphenyl)hexane-2,3-diol (PubChem CID 83933462) has the molecular formula C15H23ClO3 and a molecular weight of 286.80 g/mol. Its IUPAC name is 5-(5-chloro-2-propoxyphenyl)hexane-2,3-diol.

Molecular Properties

Compound Name5-(5-chloro-2-propoxyphenyl)hexane-2,3-diol
PubChem CID83933462
Molecular FormulaC15H23ClO3
Molecular Weight286.80 g/mol
Exact Mass286.13
IUPAC Name5-(5-chloro-2-propoxyphenyl)hexane-2,3-diol
SMILESCCCOc1ccc(Cl)cc1C(C)CC(O)C(C)O
InChIInChI=1S/C15H23ClO3/c1-4-7-19-15-6-5-12(16)9-13(15)10(2)8-14(18)11(3)17/h5-6,9-11,14,17-18H,4,7-8H2,1-3H3
InChIKeyZKOPAPUOLBJYFE-UHFFFAOYSA-N
XLogP3.36
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-4-(5-chloro-2-propoxyphenyl)pentan-2-ol
CID 83933454
(1R)-1-(5-chloro-2-propoxyphenyl)ethanol
CID 63364392
5-(5-chloro-4-methyl-2-propoxyphenyl)hexane-2,3-diol
CID 83937822
4-(5-chloro-2-ethoxyphenyl)pentane-1,2-diol
CID 83933329
(1S)-1-(5-chloro-2-hexoxyphenyl)ethanol
CID 78931549
(1S)-1-(5-chloro-2-heptoxyphenyl)ethanol
CID 63533695
(1S)-1-(5-chloro-2-decoxyphenyl)ethanol
CID 78944253
1-(5-chloro-2-heptoxyphenyl)ethanol
CID 63533676
2-amino-1-(5-chloro-2-propoxyphenyl)-4-(methylamino)butan-1-ol
CID 83933377
5-amino-2-(5-tert-butyl-2-propoxyphenyl)heptan-4-ol
CID 83935661
5-(2-ethyl-4-propoxyphenyl)hexane-2,3-diol
CID 83941886
2-(bromomethyl)-4-chloro-1-propoxybenzene
CID 43142008

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-propoxyphenyl)hexane-2,3-diol?
The IUPAC name of 5-(5-chloro-2-propoxyphenyl)hexane-2,3-diol (CID 83933462) is 5-(5-chloro-2-propoxyphenyl)hexane-2,3-diol.
What is the SMILES notation for 5-(5-chloro-2-propoxyphenyl)hexane-2,3-diol?
The canonical SMILES for 5-(5-chloro-2-propoxyphenyl)hexane-2,3-diol is CCCOc1ccc(Cl)cc1C(C)CC(O)C(C)O.
What is the InChIKey of 5-(5-chloro-2-propoxyphenyl)hexane-2,3-diol?
The InChIKey is ZKOPAPUOLBJYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClO3/c1-4-7-19-15-6-5-12(16)9-13(15)10(2)8-14(18)11(3)17/h5-6,9-11,14,17-18H,4,7-8H2,1-3H3.
What are the key properties of 5-(5-chloro-2-propoxyphenyl)hexane-2,3-diol?
5-(5-chloro-2-propoxyphenyl)hexane-2,3-diol has a molecular weight of 286.80 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-propoxyphenyl)hexane-2,3-diol is sourced from PubChem (CID 83933462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).