(2-methoxy-4-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol

C17H26O3 — CID 106790557

IUPAC(2-methoxy-4-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
SMILESCOc1cc(C)ccc1C(O)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C17H26O3/c1-11-7-8-12(14(9-11)19-6)15(18)13-10-16(2,3)20-17(13,4)5/h7-9,13,15,18H,10H2,1-6H3
InChIKeyOBBXDQURBXZPMQ-UHFFFAOYSA-N
MW278.39 g/mol
LogP3.63
Rot. Bonds3

About (2-methoxy-4-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol

(2-methoxy-4-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol (PubChem CID 106790557) has the molecular formula C17H26O3 and a molecular weight of 278.39 g/mol. Its IUPAC name is (2-methoxy-4-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol.

Molecular Properties

Compound Name(2-methoxy-4-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
PubChem CID106790557
Molecular FormulaC17H26O3
Molecular Weight278.39 g/mol
Exact Mass278.19
IUPAC Name(2-methoxy-4-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
SMILESCOc1cc(C)ccc1C(O)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C17H26O3/c1-11-7-8-12(14(9-11)19-6)15(18)13-10-16(2,3)20-17(13,4)5/h7-9,13,15,18H,10H2,1-6H3
InChIKeyOBBXDQURBXZPMQ-UHFFFAOYSA-N
XLogP3.63
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dimethylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622010
(3,4-dimethoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114621967
(2-amino-4-chlorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622632
N-(2-methoxy-4-methylphenyl)-2,2,5,5-tetramethyloxolan-3-amine
CID 79928376
(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
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine
CID 79907759
(2,5-dibromothiophen-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 107969945
(2-cyclopropylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622122
(4-methoxy-3-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114623396
(3-fluoro-4-pyridinyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622719
(4-fluoro-3-methoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105052799

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-4-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol?
The IUPAC name of (2-methoxy-4-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol (CID 106790557) is (2-methoxy-4-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol.
What is the SMILES notation for (2-methoxy-4-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol?
The canonical SMILES for (2-methoxy-4-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol is COc1cc(C)ccc1C(O)C1CC(C)(C)OC1(C)C.
What is the InChIKey of (2-methoxy-4-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol?
The InChIKey is OBBXDQURBXZPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O3/c1-11-7-8-12(14(9-11)19-6)15(18)13-10-16(2,3)20-17(13,4)5/h7-9,13,15,18H,10H2,1-6H3.
What are the key properties of (2-methoxy-4-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol?
(2-methoxy-4-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol has a molecular weight of 278.39 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-4-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol is sourced from PubChem (CID 106790557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).