2-methyl-2-[3-(oxolan-3-yloxy)phenyl]propan-1-ol

C14H20O3 — CID 117345312

IUPAC2-methyl-2-[3-(oxolan-3-yloxy)phenyl]propan-1-ol
SMILESCC(C)(CO)c1cccc(OC2CCOC2)c1
InChIInChI=1S/C14H20O3/c1-14(2,10-15)11-4-3-5-12(8-11)17-13-6-7-16-9-13/h3-5,8,13,15H,6-7,9-10H2,1-2H3
InChIKeyIATKPKRNIKGEAA-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.12
Rot. Bonds4

About 2-methyl-2-[3-(oxolan-3-yloxy)phenyl]propan-1-ol

2-methyl-2-[3-(oxolan-3-yloxy)phenyl]propan-1-ol (PubChem CID 117345312) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-methyl-2-[3-(oxolan-3-yloxy)phenyl]propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[3-(oxolan-3-yloxy)phenyl]propan-1-ol
PubChem CID117345312
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name2-methyl-2-[3-(oxolan-3-yloxy)phenyl]propan-1-ol
SMILESCC(C)(CO)c1cccc(OC2CCOC2)c1
InChIInChI=1S/C14H20O3/c1-14(2,10-15)11-4-3-5-12(8-11)17-13-6-7-16-9-13/h3-5,8,13,15H,6-7,9-10H2,1-2H3
InChIKeyIATKPKRNIKGEAA-UHFFFAOYSA-N
XLogP2.12
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-amino-2-[3-[(3R)-oxolan-3-yl]oxyphenyl]butan-2-ol
CID 143948383
2-methyl-2-[2-(oxolan-3-yloxy)phenyl]propan-1-ol
CID 117345311
3-[3-(oxolan-3-yloxy)phenyl]propan-1-ol
CID 117318293
N-[[3-(oxolan-3-yloxy)phenyl]methyl]ethanamine
CID 63556352
2-methyl-2-[3-(oxan-4-yl)phenyl]propan-1-ol
CID 117341023
4-[3-(trifluoromethyl)phenoxy]oxane
CID 53217062
(1R)-1-[3-[(3R)-oxolan-3-yl]oxyphenyl]ethanamine
CID 67021938
1-[[3-(oxolan-3-yloxy)phenyl]methyl]cyclopropan-1-amine
CID 117338698
3-methoxy-5-[(3S)-oxolan-3-yl]oxyphenol
CID 170566550
2-methyl-2-[3-(oxetan-3-yl)phenyl]propan-1-ol
CID 117295101
3-[3-(oxolan-3-yloxy)phenyl]propan-1-amine
CID 115004698
(3R)-3-(4-fluoro-3-methylphenoxy)oxolane
CID 170235553

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[3-(oxolan-3-yloxy)phenyl]propan-1-ol?
The IUPAC name of 2-methyl-2-[3-(oxolan-3-yloxy)phenyl]propan-1-ol (CID 117345312) is 2-methyl-2-[3-(oxolan-3-yloxy)phenyl]propan-1-ol.
What is the SMILES notation for 2-methyl-2-[3-(oxolan-3-yloxy)phenyl]propan-1-ol?
The canonical SMILES for 2-methyl-2-[3-(oxolan-3-yloxy)phenyl]propan-1-ol is CC(C)(CO)c1cccc(OC2CCOC2)c1.
What is the InChIKey of 2-methyl-2-[3-(oxolan-3-yloxy)phenyl]propan-1-ol?
The InChIKey is IATKPKRNIKGEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-14(2,10-15)11-4-3-5-12(8-11)17-13-6-7-16-9-13/h3-5,8,13,15H,6-7,9-10H2,1-2H3.
What are the key properties of 2-methyl-2-[3-(oxolan-3-yloxy)phenyl]propan-1-ol?
2-methyl-2-[3-(oxolan-3-yloxy)phenyl]propan-1-ol has a molecular weight of 236.31 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[3-(oxolan-3-yloxy)phenyl]propan-1-ol is sourced from PubChem (CID 117345312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).