1-[4-(2-methylbutan-2-yl)phenyl]-2-(oxolan-2-yl)ethanol

C17H26O2 — CID 66259192

IUPAC1-[4-(2-methylbutan-2-yl)phenyl]-2-(oxolan-2-yl)ethanol
SMILESCCC(C)(C)c1ccc(C(O)CC2CCCO2)cc1
InChIInChI=1S/C17H26O2/c1-4-17(2,3)14-9-7-13(8-10-14)16(18)12-15-6-5-11-19-15/h7-10,15-16,18H,4-6,11-12H2,1-3H3
InChIKeySLMBYNFFBLADAB-UHFFFAOYSA-N
MW262.39 g/mol
LogP3.98
Rot. Bonds5

About 1-[4-(2-methylbutan-2-yl)phenyl]-2-(oxolan-2-yl)ethanol

1-[4-(2-methylbutan-2-yl)phenyl]-2-(oxolan-2-yl)ethanol (PubChem CID 66259192) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 1-[4-(2-methylbutan-2-yl)phenyl]-2-(oxolan-2-yl)ethanol.

Molecular Properties

Compound Name1-[4-(2-methylbutan-2-yl)phenyl]-2-(oxolan-2-yl)ethanol
PubChem CID66259192
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name1-[4-(2-methylbutan-2-yl)phenyl]-2-(oxolan-2-yl)ethanol
SMILESCCC(C)(C)c1ccc(C(O)CC2CCCO2)cc1
InChIInChI=1S/C17H26O2/c1-4-17(2,3)14-9-7-13(8-10-14)16(18)12-15-6-5-11-19-15/h7-10,15-16,18H,4-6,11-12H2,1-3H3
InChIKeySLMBYNFFBLADAB-UHFFFAOYSA-N
XLogP3.98
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(oxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 62791649
1-(4-methylphenyl)-2-(oxolan-2-yl)ethanol
CID 60797370
1-(4-tert-butylphenyl)-N-ethyl-2-(oxolan-2-yl)ethanamine
CID 62550488
1-(3,4-dimethoxyphenyl)-2-(oxolan-2-yl)ethanol
CID 62606269
[4-(2-methylbutan-2-yl)phenyl]-(2-methyloxolan-3-yl)methanol
CID 79762806
N-methyl-2-(oxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 62791871
1-(3-chloro-4-methylphenyl)-2-(oxan-2-yl)ethanol
CID 107560134
4-(2-methylbutan-2-yl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 25041317
1-(5-ethylthiophen-2-yl)-2-(oxolan-2-yl)ethanol
CID 65149785
6-[1-hydroxy-2-(oxolan-2-yl)ethyl]-3-methyl-1,3-benzoxazol-2-one
CID 65157893
1-(2,3-dihydrofuran-4-yl)-2-(oxolan-2-yl)ethanol
CID 130580079
3-[bromo-[4-(2-methylbutan-2-yl)phenyl]methyl]oxane
CID 66258827

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylbutan-2-yl)phenyl]-2-(oxolan-2-yl)ethanol?
The IUPAC name of 1-[4-(2-methylbutan-2-yl)phenyl]-2-(oxolan-2-yl)ethanol (CID 66259192) is 1-[4-(2-methylbutan-2-yl)phenyl]-2-(oxolan-2-yl)ethanol.
What is the SMILES notation for 1-[4-(2-methylbutan-2-yl)phenyl]-2-(oxolan-2-yl)ethanol?
The canonical SMILES for 1-[4-(2-methylbutan-2-yl)phenyl]-2-(oxolan-2-yl)ethanol is CCC(C)(C)c1ccc(C(O)CC2CCCO2)cc1.
What is the InChIKey of 1-[4-(2-methylbutan-2-yl)phenyl]-2-(oxolan-2-yl)ethanol?
The InChIKey is SLMBYNFFBLADAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-4-17(2,3)14-9-7-13(8-10-14)16(18)12-15-6-5-11-19-15/h7-10,15-16,18H,4-6,11-12H2,1-3H3.
What are the key properties of 1-[4-(2-methylbutan-2-yl)phenyl]-2-(oxolan-2-yl)ethanol?
1-[4-(2-methylbutan-2-yl)phenyl]-2-(oxolan-2-yl)ethanol has a molecular weight of 262.39 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylbutan-2-yl)phenyl]-2-(oxolan-2-yl)ethanol is sourced from PubChem (CID 66259192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).