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

C15H22O3 — CID 113449299

IUPAC1-(oxolan-3-yl)-2-(2,4,6-trimethylphenoxy)ethanol
SMILESCc1cc(C)c(OCC(O)C2CCOC2)c(C)c1
InChIInChI=1S/C15H22O3/c1-10-6-11(2)15(12(3)7-10)18-9-14(16)13-4-5-17-8-13/h6-7,13-14,16H,4-5,8-9H2,1-3H3
InChIKeyPWDSBVCZJGTWEA-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.39
Rot. Bonds4

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

1-(oxolan-3-yl)-2-(2,4,6-trimethylphenoxy)ethanol (PubChem CID 113449299) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(oxolan-3-yl)-2-(2,4,6-trimethylphenoxy)ethanol.

Molecular Properties

Compound Name1-(oxolan-3-yl)-2-(2,4,6-trimethylphenoxy)ethanol
PubChem CID113449299
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name1-(oxolan-3-yl)-2-(2,4,6-trimethylphenoxy)ethanol
SMILESCc1cc(C)c(OCC(O)C2CCOC2)c(C)c1
InChIInChI=1S/C15H22O3/c1-10-6-11(2)15(12(3)7-10)18-9-14(16)13-4-5-17-8-13/h6-7,13-14,16H,4-5,8-9H2,1-3H3
InChIKeyPWDSBVCZJGTWEA-UHFFFAOYSA-N
XLogP2.39
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-dimethylphenoxy)-1-(oxolan-3-yl)ethanol
CID 104753445
N-methyl-1-(oxolan-3-yl)-2-(2,4,6-trimethylphenoxy)ethanamine
CID 104749198
2-(2,4-dimethylphenoxy)-1-(oxolan-3-yl)ethanol
CID 104753451
2-(3-methylphenoxy)-1-(oxolan-3-yl)ethanol
CID 104753502
2-(3,5-difluorophenoxy)-1-(oxolan-3-yl)ethanol
CID 104753703
2-(3-methoxyphenoxy)-1-(oxolan-3-yl)ethanol
CID 113449272
1,3-bis(2,4,6-trimethylphenoxy)propan-2-ol
CID 121215502
2-(4-ethylphenoxy)-1-(oxolan-3-yl)ethanol
CID 113449273
1-(oxolan-3-yl)-2-(4-propoxyphenoxy)ethanol
CID 104753632
2-(1,3-benzodioxol-5-yloxy)-1-(oxolan-3-yl)ethanol
CID 113449294
2-(3-methylphenyl)-1-(oxolan-3-yl)ethanol
CID 63018675
oxan-4-yl-(2,4,6-trimethylphenyl)methanol
CID 62905510

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)-2-(2,4,6-trimethylphenoxy)ethanol?
The IUPAC name of 1-(oxolan-3-yl)-2-(2,4,6-trimethylphenoxy)ethanol (CID 113449299) is 1-(oxolan-3-yl)-2-(2,4,6-trimethylphenoxy)ethanol.
What is the SMILES notation for 1-(oxolan-3-yl)-2-(2,4,6-trimethylphenoxy)ethanol?
The canonical SMILES for 1-(oxolan-3-yl)-2-(2,4,6-trimethylphenoxy)ethanol is Cc1cc(C)c(OCC(O)C2CCOC2)c(C)c1.
What is the InChIKey of 1-(oxolan-3-yl)-2-(2,4,6-trimethylphenoxy)ethanol?
The InChIKey is PWDSBVCZJGTWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-10-6-11(2)15(12(3)7-10)18-9-14(16)13-4-5-17-8-13/h6-7,13-14,16H,4-5,8-9H2,1-3H3.
What are the key properties of 1-(oxolan-3-yl)-2-(2,4,6-trimethylphenoxy)ethanol?
1-(oxolan-3-yl)-2-(2,4,6-trimethylphenoxy)ethanol has a molecular weight of 250.34 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)-2-(2,4,6-trimethylphenoxy)ethanol is sourced from PubChem (CID 113449299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).