(2,5-dimethylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol

C17H26O2 — CID 114622010

IUPAC(2,5-dimethylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
SMILESCc1ccc(C)c(C(O)C2CC(C)(C)OC2(C)C)c1
InChIInChI=1S/C17H26O2/c1-11-7-8-12(2)13(9-11)15(18)14-10-16(3,4)19-17(14,5)6/h7-9,14-15,18H,10H2,1-6H3
InChIKeyINLHXPSVOIISEZ-UHFFFAOYSA-N
MW262.39 g/mol
LogP3.93
Rot. Bonds2

About (2,5-dimethylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol

(2,5-dimethylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol (PubChem CID 114622010) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is (2,5-dimethylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol.

Molecular Properties

Compound Name(2,5-dimethylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
PubChem CID114622010
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name(2,5-dimethylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
SMILESCc1ccc(C)c(C(O)C2CC(C)(C)OC2(C)C)c1
InChIInChI=1S/C17H26O2/c1-11-7-8-12(2)13(9-11)15(18)14-10-16(3,4)19-17(14,5)6/h7-9,14-15,18H,10H2,1-6H3
InChIKeyINLHXPSVOIISEZ-UHFFFAOYSA-N
XLogP3.93
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methoxy-4-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 106790557
(4-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622000
(2,3-dimethylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622019
(2,5-difluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622030
1-(2,4-dimethylphenyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105052789
(2,5-dibromothiophen-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 107969945
(2-amino-4-chlorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622632
(2-cyclopropylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622122
2-(2,5-dimethylphenyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine
CID 105052966
(5-fluoro-2-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114622974
isoquinolin-4-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622205
(3,4-dimethoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114621967

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol?
The IUPAC name of (2,5-dimethylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol (CID 114622010) is (2,5-dimethylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol.
What is the SMILES notation for (2,5-dimethylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol?
The canonical SMILES for (2,5-dimethylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol is Cc1ccc(C)c(C(O)C2CC(C)(C)OC2(C)C)c1.
What is the InChIKey of (2,5-dimethylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol?
The InChIKey is INLHXPSVOIISEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-11-7-8-12(2)13(9-11)15(18)14-10-16(3,4)19-17(14,5)6/h7-9,14-15,18H,10H2,1-6H3.
What are the key properties of (2,5-dimethylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol?
(2,5-dimethylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol has a molecular weight of 262.39 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol is sourced from PubChem (CID 114622010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).