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

C14H20O2 — CID 63013338

IUPAC2-(2-methylphenyl)-1-(oxan-3-yl)ethanol
SMILESCc1ccccc1CC(O)C1CCCOC1
InChIInChI=1S/C14H20O2/c1-11-5-2-3-6-12(11)9-14(15)13-7-4-8-16-10-13/h2-3,5-6,13-15H,4,7-10H2,1H3
InChIKeyUWXFBQUQLTXBTP-UHFFFAOYSA-N
MW220.31 g/mol
LogP2.33
Rot. Bonds3

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

2-(2-methylphenyl)-1-(oxan-3-yl)ethanol (PubChem CID 63013338) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 2-(2-methylphenyl)-1-(oxan-3-yl)ethanol.

Molecular Properties

Compound Name2-(2-methylphenyl)-1-(oxan-3-yl)ethanol
PubChem CID63013338
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name2-(2-methylphenyl)-1-(oxan-3-yl)ethanol
SMILESCc1ccccc1CC(O)C1CCCOC1
InChIInChI=1S/C14H20O2/c1-11-5-2-3-6-12(11)9-14(15)13-7-4-8-16-10-13/h2-3,5-6,13-15H,4,7-10H2,1H3
InChIKeyUWXFBQUQLTXBTP-UHFFFAOYSA-N
XLogP2.33
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-1-(oxan-3-yl)ethanol?
The IUPAC name of 2-(2-methylphenyl)-1-(oxan-3-yl)ethanol (CID 63013338) is 2-(2-methylphenyl)-1-(oxan-3-yl)ethanol.
What is the SMILES notation for 2-(2-methylphenyl)-1-(oxan-3-yl)ethanol?
The canonical SMILES for 2-(2-methylphenyl)-1-(oxan-3-yl)ethanol is Cc1ccccc1CC(O)C1CCCOC1.
What is the InChIKey of 2-(2-methylphenyl)-1-(oxan-3-yl)ethanol?
The InChIKey is UWXFBQUQLTXBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-11-5-2-3-6-12(11)9-14(15)13-7-4-8-16-10-13/h2-3,5-6,13-15H,4,7-10H2,1H3.
What are the key properties of 2-(2-methylphenyl)-1-(oxan-3-yl)ethanol?
2-(2-methylphenyl)-1-(oxan-3-yl)ethanol has a molecular weight of 220.31 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-1-(oxan-3-yl)ethanol is sourced from PubChem (CID 63013338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).