2-[2-(2,3-dimethyl-4-propoxyphenyl)ethyl]propane-1,3-diol

C16H26O3 — CID 83939972

IUPAC2-[2-(2,3-dimethyl-4-propoxyphenyl)ethyl]propane-1,3-diol
SMILESCCCOc1ccc(CCC(CO)CO)c(C)c1C
InChIInChI=1S/C16H26O3/c1-4-9-19-16-8-7-15(12(2)13(16)3)6-5-14(10-17)11-18/h7-8,14,17-18H,4-6,9-11H2,1-3H3
InChIKeyLZIIZAZREOMGEE-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.63
Rot. Bonds8

About 2-[2-(2,3-dimethyl-4-propoxyphenyl)ethyl]propane-1,3-diol

2-[2-(2,3-dimethyl-4-propoxyphenyl)ethyl]propane-1,3-diol (PubChem CID 83939972) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is 2-[2-(2,3-dimethyl-4-propoxyphenyl)ethyl]propane-1,3-diol.

Molecular Properties

Compound Name2-[2-(2,3-dimethyl-4-propoxyphenyl)ethyl]propane-1,3-diol
PubChem CID83939972
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name2-[2-(2,3-dimethyl-4-propoxyphenyl)ethyl]propane-1,3-diol
SMILESCCCOc1ccc(CCC(CO)CO)c(C)c1C
InChIInChI=1S/C16H26O3/c1-4-9-19-16-8-7-15(12(2)13(16)3)6-5-14(10-17)11-18/h7-8,14,17-18H,4-6,9-11H2,1-3H3
InChIKeyLZIIZAZREOMGEE-UHFFFAOYSA-N
XLogP2.63
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-(2,3-dimethyl-4-propoxyphenyl)heptan-3-ol
CID 83940028
2-[2-(3-propan-2-yl-4-propoxyphenyl)ethyl]propane-1,3-diol
CID 83935115
1-(4-ethoxy-2,3-dimethylphenyl)hexane-3,4-diol
CID 83939907
2-[2-(3,5-dichloro-2-propoxyphenyl)ethyl]propane-1,3-diol
CID 83941330
1-(2,3-dimethyl-4-propoxyphenyl)propan-1-ol
CID 82266399
2-[4-(2-hydroxyethoxy)-2,3-dimethylphenoxy]ethanol
CID 14025005
2-(7-methyl-6-propoxy-1,2-benzoxazol-3-yl)ethanol
CID 39097258
1-ethyl-4-(2-methoxyethoxy)-2,3-dimethylbenzene
CID 143169475
6-(4-ethoxy-2,3-dimethylphenyl)hexan-3-amine
CID 83939848
N-ethyl-2,3-dimethyl-4-propoxyaniline
CID 82266389
3-methyl-4-propoxy-1H-pyridin-2-one
CID 66739454
2-(aminomethyl)-3-(5-chloro-2-propoxyphenyl)propan-1-ol
CID 83933372

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dimethyl-4-propoxyphenyl)ethyl]propane-1,3-diol?
The IUPAC name of 2-[2-(2,3-dimethyl-4-propoxyphenyl)ethyl]propane-1,3-diol (CID 83939972) is 2-[2-(2,3-dimethyl-4-propoxyphenyl)ethyl]propane-1,3-diol.
What is the SMILES notation for 2-[2-(2,3-dimethyl-4-propoxyphenyl)ethyl]propane-1,3-diol?
The canonical SMILES for 2-[2-(2,3-dimethyl-4-propoxyphenyl)ethyl]propane-1,3-diol is CCCOc1ccc(CCC(CO)CO)c(C)c1C.
What is the InChIKey of 2-[2-(2,3-dimethyl-4-propoxyphenyl)ethyl]propane-1,3-diol?
The InChIKey is LZIIZAZREOMGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3/c1-4-9-19-16-8-7-15(12(2)13(16)3)6-5-14(10-17)11-18/h7-8,14,17-18H,4-6,9-11H2,1-3H3.
What are the key properties of 2-[2-(2,3-dimethyl-4-propoxyphenyl)ethyl]propane-1,3-diol?
2-[2-(2,3-dimethyl-4-propoxyphenyl)ethyl]propane-1,3-diol has a molecular weight of 266.38 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dimethyl-4-propoxyphenyl)ethyl]propane-1,3-diol is sourced from PubChem (CID 83939972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).