2-(3-methylphenyl)-1-(oxolan-3-yl)ethanol

C13H18O2 — CID 63018675

IUPAC2-(3-methylphenyl)-1-(oxolan-3-yl)ethanol
SMILESCc1cccc(CC(O)C2CCOC2)c1
InChIInChI=1S/C13H18O2/c1-10-3-2-4-11(7-10)8-13(14)12-5-6-15-9-12/h2-4,7,12-14H,5-6,8-9H2,1H3
InChIKeyCGZFHCLIKIURIF-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.93
Rot. Bonds3

About 2-(3-methylphenyl)-1-(oxolan-3-yl)ethanol

2-(3-methylphenyl)-1-(oxolan-3-yl)ethanol (PubChem CID 63018675) has the molecular formula C13H18O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-(3-methylphenyl)-1-(oxolan-3-yl)ethanol.

Molecular Properties

Compound Name2-(3-methylphenyl)-1-(oxolan-3-yl)ethanol
PubChem CID63018675
Molecular FormulaC13H18O2
Molecular Weight206.29 g/mol
Exact Mass206.13
IUPAC Name2-(3-methylphenyl)-1-(oxolan-3-yl)ethanol
SMILESCc1cccc(CC(O)C2CCOC2)c1
InChIInChI=1S/C13H18O2/c1-10-3-2-4-11(7-10)8-13(14)12-5-6-15-9-12/h2-4,7,12-14H,5-6,8-9H2,1H3
InChIKeyCGZFHCLIKIURIF-UHFFFAOYSA-N
XLogP1.93
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-2-(3-methylphenyl)ethanol
CID 60798994
2-(3-methylphenyl)-1-(4-propan-2-ylcyclohexyl)ethanol
CID 65424884
2-(3-methylphenoxy)-1-(oxolan-3-yl)ethanol
CID 104753502
2-(3-methylphenyl)-1-(oxan-4-yl)ethanamine
CID 62905159
2-(3-chloro-4-fluorophenyl)-1-(oxolan-3-yl)ethanol
CID 103038984
2-(3-methylphenyl)-1-piperidin-3-ylethanol
CID 79019455
2-[(3-methylphenyl)methyl]-3-(oxan-4-yl)propan-1-ol
CID 66057601
[1-(3-methylphenyl)-3-(oxolan-3-yl)propan-2-yl]hydrazine
CID 105266028
2-(2,6-dimethylphenoxy)-1-(oxolan-3-yl)ethanol
CID 104753445
2-(2,4-dimethylphenoxy)-1-(oxolan-3-yl)ethanol
CID 104753451
2-(3-methylanilino)-2-(oxolan-3-yl)ethanol
CID 61047784
(3-methylphenyl)-(oxolan-3-yl)methanamine
CID 63564750

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-1-(oxolan-3-yl)ethanol?
The IUPAC name of 2-(3-methylphenyl)-1-(oxolan-3-yl)ethanol (CID 63018675) is 2-(3-methylphenyl)-1-(oxolan-3-yl)ethanol.
What is the SMILES notation for 2-(3-methylphenyl)-1-(oxolan-3-yl)ethanol?
The canonical SMILES for 2-(3-methylphenyl)-1-(oxolan-3-yl)ethanol is Cc1cccc(CC(O)C2CCOC2)c1.
What is the InChIKey of 2-(3-methylphenyl)-1-(oxolan-3-yl)ethanol?
The InChIKey is CGZFHCLIKIURIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-10-3-2-4-11(7-10)8-13(14)12-5-6-15-9-12/h2-4,7,12-14H,5-6,8-9H2,1H3.
What are the key properties of 2-(3-methylphenyl)-1-(oxolan-3-yl)ethanol?
2-(3-methylphenyl)-1-(oxolan-3-yl)ethanol has a molecular weight of 206.29 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-1-(oxolan-3-yl)ethanol is sourced from PubChem (CID 63018675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).