5-(3,4-dipropoxyphenyl)pentane-2,3-diol

C17H28O4 — CID 83932064

IUPAC5-(3,4-dipropoxyphenyl)pentane-2,3-diol
SMILESCCCOc1ccc(CCC(O)C(C)O)cc1OCCC
InChIInChI=1S/C17H28O4/c1-4-10-20-16-9-7-14(6-8-15(19)13(3)18)12-17(16)21-11-5-2/h7,9,12-13,15,18-19H,4-6,8,10-11H2,1-3H3
InChIKeyMYQLQGRKAIMCST-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.94
Rot. Bonds10

About 5-(3,4-dipropoxyphenyl)pentane-2,3-diol

5-(3,4-dipropoxyphenyl)pentane-2,3-diol (PubChem CID 83932064) has the molecular formula C17H28O4 and a molecular weight of 296.41 g/mol. Its IUPAC name is 5-(3,4-dipropoxyphenyl)pentane-2,3-diol.

Molecular Properties

Compound Name5-(3,4-dipropoxyphenyl)pentane-2,3-diol
PubChem CID83932064
Molecular FormulaC17H28O4
Molecular Weight296.41 g/mol
Exact Mass296.20
IUPAC Name5-(3,4-dipropoxyphenyl)pentane-2,3-diol
SMILESCCCOc1ccc(CCC(O)C(C)O)cc1OCCC
InChIInChI=1S/C17H28O4/c1-4-10-20-16-9-7-14(6-8-15(19)13(3)18)12-17(16)21-11-5-2/h7,9,12-13,15,18-19H,4-6,8,10-11H2,1-3H3
InChIKeyMYQLQGRKAIMCST-UHFFFAOYSA-N
XLogP2.94
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5-fluoro-2-propoxyphenyl)pentane-2,3-diol
CID 83944238
1-(3-ethoxy-4-propoxyphenyl)propan-2-ol
CID 82161162
4-amino-1-(3,4-diethoxyphenyl)heptan-3-ol
CID 83923629
5-[2-propoxy-5-(trifluoromethyl)phenyl]pentane-2,3-diol
CID 83921363
5-(4-methoxy-3-propan-2-ylphenyl)pentane-2,3-diol
CID 83926893
5-(3-chloro-4-methoxyphenyl)pentane-2,3-diol
CID 83928573
2-[2-(3-propan-2-yl-4-propoxyphenyl)ethyl]propane-1,3-diol
CID 83935115
2-(3,4-dipropoxyphenyl)pentan-3-ol
CID 79298154
4-hex-3-ynyl-1,2-dipropoxybenzene
CID 83932024
3-(4-butoxy-3-ethoxyphenyl)-1-phenylpropan-1-ol
CID 82185179
4-(3-chloro-4-propoxyphenyl)butan-2-amine
CID 83952879
5-(3-tert-butyl-4-methoxyphenyl)pentane-2,3-diol
CID 83936813

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dipropoxyphenyl)pentane-2,3-diol?
The IUPAC name of 5-(3,4-dipropoxyphenyl)pentane-2,3-diol (CID 83932064) is 5-(3,4-dipropoxyphenyl)pentane-2,3-diol.
What is the SMILES notation for 5-(3,4-dipropoxyphenyl)pentane-2,3-diol?
The canonical SMILES for 5-(3,4-dipropoxyphenyl)pentane-2,3-diol is CCCOc1ccc(CCC(O)C(C)O)cc1OCCC.
What is the InChIKey of 5-(3,4-dipropoxyphenyl)pentane-2,3-diol?
The InChIKey is MYQLQGRKAIMCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O4/c1-4-10-20-16-9-7-14(6-8-15(19)13(3)18)12-17(16)21-11-5-2/h7,9,12-13,15,18-19H,4-6,8,10-11H2,1-3H3.
What are the key properties of 5-(3,4-dipropoxyphenyl)pentane-2,3-diol?
5-(3,4-dipropoxyphenyl)pentane-2,3-diol has a molecular weight of 296.41 g/mol, XLogP of 2.94, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dipropoxyphenyl)pentane-2,3-diol is sourced from PubChem (CID 83932064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).