3-(2-methyl-5-propan-2-ylphenoxy)-2-propoxycyclobutan-1-ol

C17H26O3 — CID 107942562

IUPAC3-(2-methyl-5-propan-2-ylphenoxy)-2-propoxycyclobutan-1-ol
SMILESCCCOC1C(O)CC1Oc1cc(C(C)C)ccc1C
InChIInChI=1S/C17H26O3/c1-5-8-19-17-14(18)10-16(17)20-15-9-13(11(2)3)7-6-12(15)4/h6-7,9,11,14,16-18H,5,8,10H2,1-4H3
InChIKeyOWNISQBXWLTIHR-UHFFFAOYSA-N
MW278.39 g/mol
LogP3.43
Rot. Bonds6

About 3-(2-methyl-5-propan-2-ylphenoxy)-2-propoxycyclobutan-1-ol

3-(2-methyl-5-propan-2-ylphenoxy)-2-propoxycyclobutan-1-ol (PubChem CID 107942562) has the molecular formula C17H26O3 and a molecular weight of 278.39 g/mol. Its IUPAC name is 3-(2-methyl-5-propan-2-ylphenoxy)-2-propoxycyclobutan-1-ol.

Molecular Properties

Compound Name3-(2-methyl-5-propan-2-ylphenoxy)-2-propoxycyclobutan-1-ol
PubChem CID107942562
Molecular FormulaC17H26O3
Molecular Weight278.39 g/mol
Exact Mass278.19
IUPAC Name3-(2-methyl-5-propan-2-ylphenoxy)-2-propoxycyclobutan-1-ol
SMILESCCCOC1C(O)CC1Oc1cc(C(C)C)ccc1C
InChIInChI=1S/C17H26O3/c1-5-8-19-17-14(18)10-16(17)20-15-9-13(11(2)3)7-6-12(15)4/h6-7,9,11,14,16-18H,5,8,10H2,1-4H3
InChIKeyOWNISQBXWLTIHR-UHFFFAOYSA-N
XLogP3.43
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-5-propan-2-ylphenoxy)-2-propoxycyclobutan-1-ol?
The IUPAC name of 3-(2-methyl-5-propan-2-ylphenoxy)-2-propoxycyclobutan-1-ol (CID 107942562) is 3-(2-methyl-5-propan-2-ylphenoxy)-2-propoxycyclobutan-1-ol.
What is the SMILES notation for 3-(2-methyl-5-propan-2-ylphenoxy)-2-propoxycyclobutan-1-ol?
The canonical SMILES for 3-(2-methyl-5-propan-2-ylphenoxy)-2-propoxycyclobutan-1-ol is CCCOC1C(O)CC1Oc1cc(C(C)C)ccc1C.
What is the InChIKey of 3-(2-methyl-5-propan-2-ylphenoxy)-2-propoxycyclobutan-1-ol?
The InChIKey is OWNISQBXWLTIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O3/c1-5-8-19-17-14(18)10-16(17)20-15-9-13(11(2)3)7-6-12(15)4/h6-7,9,11,14,16-18H,5,8,10H2,1-4H3.
What are the key properties of 3-(2-methyl-5-propan-2-ylphenoxy)-2-propoxycyclobutan-1-ol?
3-(2-methyl-5-propan-2-ylphenoxy)-2-propoxycyclobutan-1-ol has a molecular weight of 278.39 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-5-propan-2-ylphenoxy)-2-propoxycyclobutan-1-ol is sourced from PubChem (CID 107942562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).