[4-(2-methylbutan-2-yl)phenyl]-(2-methyloxolan-3-yl)methanol

C17H26O2 — CID 79762806

IUPAC[4-(2-methylbutan-2-yl)phenyl]-(2-methyloxolan-3-yl)methanol
SMILESCCC(C)(C)c1ccc(C(O)C2CCOC2C)cc1
InChIInChI=1S/C17H26O2/c1-5-17(3,4)14-8-6-13(7-9-14)16(18)15-10-11-19-12(15)2/h6-9,12,15-16,18H,5,10-11H2,1-4H3
InChIKeyFASJEZSYZZWCJI-UHFFFAOYSA-N
MW262.39 g/mol
LogP3.83
Rot. Bonds4

About [4-(2-methylbutan-2-yl)phenyl]-(2-methyloxolan-3-yl)methanol

[4-(2-methylbutan-2-yl)phenyl]-(2-methyloxolan-3-yl)methanol (PubChem CID 79762806) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is [4-(2-methylbutan-2-yl)phenyl]-(2-methyloxolan-3-yl)methanol.

Molecular Properties

Compound Name[4-(2-methylbutan-2-yl)phenyl]-(2-methyloxolan-3-yl)methanol
PubChem CID79762806
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name[4-(2-methylbutan-2-yl)phenyl]-(2-methyloxolan-3-yl)methanol
SMILESCCC(C)(C)c1ccc(C(O)C2CCOC2C)cc1
InChIInChI=1S/C17H26O2/c1-5-17(3,4)14-8-6-13(7-9-14)16(18)15-10-11-19-12(15)2/h6-9,12,15-16,18H,5,10-11H2,1-4H3
InChIKeyFASJEZSYZZWCJI-UHFFFAOYSA-N
XLogP3.83
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methylbutan-2-yl)phenyl]-(2-methyloxolan-3-yl)methanol?
The IUPAC name of [4-(2-methylbutan-2-yl)phenyl]-(2-methyloxolan-3-yl)methanol (CID 79762806) is [4-(2-methylbutan-2-yl)phenyl]-(2-methyloxolan-3-yl)methanol.
What is the SMILES notation for [4-(2-methylbutan-2-yl)phenyl]-(2-methyloxolan-3-yl)methanol?
The canonical SMILES for [4-(2-methylbutan-2-yl)phenyl]-(2-methyloxolan-3-yl)methanol is CCC(C)(C)c1ccc(C(O)C2CCOC2C)cc1.
What is the InChIKey of [4-(2-methylbutan-2-yl)phenyl]-(2-methyloxolan-3-yl)methanol?
The InChIKey is FASJEZSYZZWCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-5-17(3,4)14-8-6-13(7-9-14)16(18)15-10-11-19-12(15)2/h6-9,12,15-16,18H,5,10-11H2,1-4H3.
What are the key properties of [4-(2-methylbutan-2-yl)phenyl]-(2-methyloxolan-3-yl)methanol?
[4-(2-methylbutan-2-yl)phenyl]-(2-methyloxolan-3-yl)methanol has a molecular weight of 262.39 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylbutan-2-yl)phenyl]-(2-methyloxolan-3-yl)methanol is sourced from PubChem (CID 79762806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).