(3,4-dimethoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol

C17H26O4 — CID 114621967

IUPAC(3,4-dimethoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
SMILESCOc1ccc(C(O)C2CC(C)(C)OC2(C)C)cc1OC
InChIInChI=1S/C17H26O4/c1-16(2)10-12(17(3,4)21-16)15(18)11-7-8-13(19-5)14(9-11)20-6/h7-9,12,15,18H,10H2,1-6H3
InChIKeyAQJYVVLOJZHFMF-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.33
Rot. Bonds4

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

(3,4-dimethoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol (PubChem CID 114621967) has the molecular formula C17H26O4 and a molecular weight of 294.39 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
PubChem CID114621967
Molecular FormulaC17H26O4
Molecular Weight294.39 g/mol
Exact Mass294.18
IUPAC Name(3,4-dimethoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
SMILESCOc1ccc(C(O)C2CC(C)(C)OC2(C)C)cc1OC
InChIInChI=1S/C17H26O4/c1-16(2)10-12(17(3,4)21-16)15(18)11-7-8-13(19-5)14(9-11)20-6/h7-9,12,15,18H,10H2,1-6H3
InChIKeyAQJYVVLOJZHFMF-UHFFFAOYSA-N
XLogP3.33
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622000
1-[3-methoxy-4-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanol
CID 114621610
(2-methoxy-4-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 106790557
(4-methoxy-3-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114623396
(4-fluoro-3-methoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105052799
(2,5-dimethylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622010
1,2-bis(3,4-dimethoxyphenyl)ethane-1,2-diol
CID 11461770
(3,4-dimethoxyphenyl)-(oxan-2-yl)methanol
CID 62215348
(2-amino-4-chlorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622632
(2,5-dibromothiophen-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 107969945
pyrimidin-4-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622059
(1R)-1-(3,4-dimethoxyphenyl)propan-1-ol
CID 873110

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol?
The IUPAC name of (3,4-dimethoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol (CID 114621967) is (3,4-dimethoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol.
What is the SMILES notation for (3,4-dimethoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol?
The canonical SMILES for (3,4-dimethoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol is COc1ccc(C(O)C2CC(C)(C)OC2(C)C)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol?
The InChIKey is AQJYVVLOJZHFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O4/c1-16(2)10-12(17(3,4)21-16)15(18)11-7-8-13(19-5)14(9-11)20-6/h7-9,12,15,18H,10H2,1-6H3.
What are the key properties of (3,4-dimethoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol?
(3,4-dimethoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol has a molecular weight of 294.39 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol is sourced from PubChem (CID 114621967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).