1-(2-ethoxy-5-methylphenyl)-3-(oxolan-2-yl)propan-1-ol

C16H24O3 — CID 65158041

IUPAC1-(2-ethoxy-5-methylphenyl)-3-(oxolan-2-yl)propan-1-ol
SMILESCCOc1ccc(C)cc1C(O)CCC1CCCO1
InChIInChI=1S/C16H24O3/c1-3-18-16-9-6-12(2)11-14(16)15(17)8-7-13-5-4-10-19-13/h6,9,11,13,15,17H,3-5,7-8,10H2,1-2H3
InChIKeyHEQACPYGBKWERT-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.39
Rot. Bonds6

About 1-(2-ethoxy-5-methylphenyl)-3-(oxolan-2-yl)propan-1-ol

1-(2-ethoxy-5-methylphenyl)-3-(oxolan-2-yl)propan-1-ol (PubChem CID 65158041) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-(2-ethoxy-5-methylphenyl)-3-(oxolan-2-yl)propan-1-ol.

Molecular Properties

Compound Name1-(2-ethoxy-5-methylphenyl)-3-(oxolan-2-yl)propan-1-ol
PubChem CID65158041
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Name1-(2-ethoxy-5-methylphenyl)-3-(oxolan-2-yl)propan-1-ol
SMILESCCOc1ccc(C)cc1C(O)CCC1CCCO1
InChIInChI=1S/C16H24O3/c1-3-18-16-9-6-12(2)11-14(16)15(17)8-7-13-5-4-10-19-13/h6,9,11,13,15,17H,3-5,7-8,10H2,1-2H3
InChIKeyHEQACPYGBKWERT-UHFFFAOYSA-N
XLogP3.39
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethoxy-5-methylphenyl)-3-(oxan-2-yl)propan-1-ol
CID 63953787
1-(2-methoxy-5-methylphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65158286
3-cyclohexyl-1-(2-ethoxy-5-methylphenyl)propan-1-ol
CID 63427299
1-(2,4-dimethylphenyl)-4-(oxolan-2-yl)butan-1-ol
CID 65161655
1-[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 65158929
(1S)-1-[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 79004695
1-(5-bromo-2-ethoxyphenyl)-2-(oxolan-2-yl)ethanol
CID 65157940
3-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)propan-1-ol
CID 65160613
1-(5-bromo-2-ethoxyphenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 65156172
1-(2,3-difluoro-4-methylphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 107516231
2-[bromo-(2-ethoxy-5-methylphenyl)methyl]oxane
CID 55057373
1-(2-methoxy-5-methylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 104993086

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-5-methylphenyl)-3-(oxolan-2-yl)propan-1-ol?
The IUPAC name of 1-(2-ethoxy-5-methylphenyl)-3-(oxolan-2-yl)propan-1-ol (CID 65158041) is 1-(2-ethoxy-5-methylphenyl)-3-(oxolan-2-yl)propan-1-ol.
What is the SMILES notation for 1-(2-ethoxy-5-methylphenyl)-3-(oxolan-2-yl)propan-1-ol?
The canonical SMILES for 1-(2-ethoxy-5-methylphenyl)-3-(oxolan-2-yl)propan-1-ol is CCOc1ccc(C)cc1C(O)CCC1CCCO1.
What is the InChIKey of 1-(2-ethoxy-5-methylphenyl)-3-(oxolan-2-yl)propan-1-ol?
The InChIKey is HEQACPYGBKWERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-3-18-16-9-6-12(2)11-14(16)15(17)8-7-13-5-4-10-19-13/h6,9,11,13,15,17H,3-5,7-8,10H2,1-2H3.
What are the key properties of 1-(2-ethoxy-5-methylphenyl)-3-(oxolan-2-yl)propan-1-ol?
1-(2-ethoxy-5-methylphenyl)-3-(oxolan-2-yl)propan-1-ol has a molecular weight of 264.37 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-5-methylphenyl)-3-(oxolan-2-yl)propan-1-ol is sourced from PubChem (CID 65158041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).