1-(2-methoxy-4,6-dimethylphenyl)-1-(oxolan-3-yl)ethanol

C15H22O3 — CID 106679767

IUPAC1-(2-methoxy-4,6-dimethylphenyl)-1-(oxolan-3-yl)ethanol
SMILESCOc1cc(C)cc(C)c1C(C)(O)C1CCOC1
InChIInChI=1S/C15H22O3/c1-10-7-11(2)14(13(8-10)17-4)15(3,16)12-5-6-18-9-12/h7-8,12,16H,5-6,9H2,1-4H3
InChIKeyYXKSYEDQPHBYPF-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.56
Rot. Bonds3

About 1-(2-methoxy-4,6-dimethylphenyl)-1-(oxolan-3-yl)ethanol

1-(2-methoxy-4,6-dimethylphenyl)-1-(oxolan-3-yl)ethanol (PubChem CID 106679767) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(2-methoxy-4,6-dimethylphenyl)-1-(oxolan-3-yl)ethanol.

Molecular Properties

Compound Name1-(2-methoxy-4,6-dimethylphenyl)-1-(oxolan-3-yl)ethanol
PubChem CID106679767
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name1-(2-methoxy-4,6-dimethylphenyl)-1-(oxolan-3-yl)ethanol
SMILESCOc1cc(C)cc(C)c1C(C)(O)C1CCOC1
InChIInChI=1S/C15H22O3/c1-10-7-11(2)14(13(8-10)17-4)15(3,16)12-5-6-18-9-12/h7-8,12,16H,5-6,9H2,1-4H3
InChIKeyYXKSYEDQPHBYPF-UHFFFAOYSA-N
XLogP2.56
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-3,4-dimethylphenyl)-1-(oxolan-3-yl)ethanol
CID 103432714
(2-methoxy-4,6-dimethylphenyl)-(3-methyloxan-4-yl)methanone
CID 114241890
1-(2-methoxy-4,6-dimethylphenyl)-1-(3-methylphenyl)ethanol
CID 106679488
1-cyclopropyl-1-(2-fluoro-4,6-dimethylphenyl)ethanol
CID 106880260
(2S)-2-amino-2-(2-methoxy-4,6-dimethylphenyl)propanoic acid
CID 165354727
1-(4-chlorophenyl)-1-(oxolan-3-yl)ethanol
CID 63563407
3-methoxy-3-methyl-2-(oxolan-3-yl)butan-2-ol
CID 130488152
[[2-(2-methoxy-4,6-dimethylphenyl)-2-methylpropyl]amino]methanol
CID 115229682
1-(2-chlorophenyl)-1-(oxolan-3-yl)ethanol
CID 63563409
cyclopropyl-(2-methoxy-4,6-dimethylphenyl)methanone
CID 82491880
1-[4-(aminomethyl)phenyl]-1-(oxolan-3-yl)ethanol
CID 115032739
1-(2-methoxy-4,6-dimethylphenyl)-2-methylpropan-2-amine
CID 82470482

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4,6-dimethylphenyl)-1-(oxolan-3-yl)ethanol?
The IUPAC name of 1-(2-methoxy-4,6-dimethylphenyl)-1-(oxolan-3-yl)ethanol (CID 106679767) is 1-(2-methoxy-4,6-dimethylphenyl)-1-(oxolan-3-yl)ethanol.
What is the SMILES notation for 1-(2-methoxy-4,6-dimethylphenyl)-1-(oxolan-3-yl)ethanol?
The canonical SMILES for 1-(2-methoxy-4,6-dimethylphenyl)-1-(oxolan-3-yl)ethanol is COc1cc(C)cc(C)c1C(C)(O)C1CCOC1.
What is the InChIKey of 1-(2-methoxy-4,6-dimethylphenyl)-1-(oxolan-3-yl)ethanol?
The InChIKey is YXKSYEDQPHBYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-10-7-11(2)14(13(8-10)17-4)15(3,16)12-5-6-18-9-12/h7-8,12,16H,5-6,9H2,1-4H3.
What are the key properties of 1-(2-methoxy-4,6-dimethylphenyl)-1-(oxolan-3-yl)ethanol?
1-(2-methoxy-4,6-dimethylphenyl)-1-(oxolan-3-yl)ethanol has a molecular weight of 250.34 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4,6-dimethylphenyl)-1-(oxolan-3-yl)ethanol is sourced from PubChem (CID 106679767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).