(2-propan-2-yloxyphenyl)-(2,4,5-trimethyloxolan-3-yl)methanol

C17H26O3 — CID 115823700

IUPAC(2-propan-2-yloxyphenyl)-(2,4,5-trimethyloxolan-3-yl)methanol
SMILESCC(C)Oc1ccccc1C(O)C1C(C)OC(C)C1C
InChIInChI=1S/C17H26O3/c1-10(2)19-15-9-7-6-8-14(15)17(18)16-11(3)12(4)20-13(16)5/h6-13,16-18H,1-5H3
InChIKeyIMTFMXAMWQIENL-UHFFFAOYSA-N
MW278.39 g/mol
LogP3.57
Rot. Bonds4

About (2-propan-2-yloxyphenyl)-(2,4,5-trimethyloxolan-3-yl)methanol

(2-propan-2-yloxyphenyl)-(2,4,5-trimethyloxolan-3-yl)methanol (PubChem CID 115823700) has the molecular formula C17H26O3 and a molecular weight of 278.39 g/mol. Its IUPAC name is (2-propan-2-yloxyphenyl)-(2,4,5-trimethyloxolan-3-yl)methanol.

Molecular Properties

Compound Name(2-propan-2-yloxyphenyl)-(2,4,5-trimethyloxolan-3-yl)methanol
PubChem CID115823700
Molecular FormulaC17H26O3
Molecular Weight278.39 g/mol
Exact Mass278.19
IUPAC Name(2-propan-2-yloxyphenyl)-(2,4,5-trimethyloxolan-3-yl)methanol
SMILESCC(C)Oc1ccccc1C(O)C1C(C)OC(C)C1C
InChIInChI=1S/C17H26O3/c1-10(2)19-15-9-7-6-8-14(15)17(18)16-11(3)12(4)20-13(16)5/h6-13,16-18H,1-5H3
InChIKeyIMTFMXAMWQIENL-UHFFFAOYSA-N
XLogP3.57
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-propan-2-yloxyphenyl)-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 105018368
(5-methyloxolan-3-yl)-(2-propan-2-yloxyphenyl)methanol
CID 115823707
(2-propan-2-yloxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanol
CID 115823724
cyclooctyl-(2-propan-2-yloxyphenyl)methanol
CID 80603247
1-(2-propan-2-yloxyphenyl)propane-1,2-diol
CID 103452569
isoquinolin-8-yl-(2,4,5-trimethyloxolan-3-yl)methanol
CID 103139647
(2,4-dichlorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanol
CID 65157693
piperidin-3-yl-(2-propan-2-yloxyphenyl)methanol
CID 80559408
[4-(trifluoromethyl)-3-pyridinyl]-(2,4,5-trimethyloxolan-3-yl)methanol
CID 102710226
(4-bromo-3-chloro-2-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanol
CID 106765094
(4-ethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanol
CID 65160020
2-(propan-2-ylamino)-1-(2-propan-2-yloxyphenyl)ethanol
CID 79023945

Frequently Asked Questions

What is the IUPAC name of (2-propan-2-yloxyphenyl)-(2,4,5-trimethyloxolan-3-yl)methanol?
The IUPAC name of (2-propan-2-yloxyphenyl)-(2,4,5-trimethyloxolan-3-yl)methanol (CID 115823700) is (2-propan-2-yloxyphenyl)-(2,4,5-trimethyloxolan-3-yl)methanol.
What is the SMILES notation for (2-propan-2-yloxyphenyl)-(2,4,5-trimethyloxolan-3-yl)methanol?
The canonical SMILES for (2-propan-2-yloxyphenyl)-(2,4,5-trimethyloxolan-3-yl)methanol is CC(C)Oc1ccccc1C(O)C1C(C)OC(C)C1C.
What is the InChIKey of (2-propan-2-yloxyphenyl)-(2,4,5-trimethyloxolan-3-yl)methanol?
The InChIKey is IMTFMXAMWQIENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O3/c1-10(2)19-15-9-7-6-8-14(15)17(18)16-11(3)12(4)20-13(16)5/h6-13,16-18H,1-5H3.
What are the key properties of (2-propan-2-yloxyphenyl)-(2,4,5-trimethyloxolan-3-yl)methanol?
(2-propan-2-yloxyphenyl)-(2,4,5-trimethyloxolan-3-yl)methanol has a molecular weight of 278.39 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propan-2-yloxyphenyl)-(2,4,5-trimethyloxolan-3-yl)methanol is sourced from PubChem (CID 115823700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).