2-methyl-2-[3-(oxan-4-yl)phenyl]propan-1-ol

C15H22O2 — CID 117341023

IUPAC2-methyl-2-[3-(oxan-4-yl)phenyl]propan-1-ol
SMILESCC(C)(CO)c1cccc(C2CCOCC2)c1
InChIInChI=1S/C15H22O2/c1-15(2,11-16)14-5-3-4-13(10-14)12-6-8-17-9-7-12/h3-5,10,12,16H,6-9,11H2,1-2H3
InChIKeyDENKVFODVHWXPO-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.85
Rot. Bonds3

About 2-methyl-2-[3-(oxan-4-yl)phenyl]propan-1-ol

2-methyl-2-[3-(oxan-4-yl)phenyl]propan-1-ol (PubChem CID 117341023) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-methyl-2-[3-(oxan-4-yl)phenyl]propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[3-(oxan-4-yl)phenyl]propan-1-ol
PubChem CID117341023
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name2-methyl-2-[3-(oxan-4-yl)phenyl]propan-1-ol
SMILESCC(C)(CO)c1cccc(C2CCOCC2)c1
InChIInChI=1S/C15H22O2/c1-15(2,11-16)14-5-3-4-13(10-14)12-6-8-17-9-7-12/h3-5,10,12,16H,6-9,11H2,1-2H3
InChIKeyDENKVFODVHWXPO-UHFFFAOYSA-N
XLogP2.85
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-[3-(oxetan-3-yl)phenyl]propan-1-ol
CID 117295101
2-(3-cyclopropylphenyl)-2-methylpropan-1-amine
CID 155943933
2-methyl-2-[3-(oxolan-3-yloxy)phenyl]propan-1-ol
CID 117345312
2-(3-cyclobutylphenyl)-2-methylpropan-1-amine
CID 114607219
1-(3-cyclobutylphenyl)-1-(oxolan-3-yl)ethanol
CID 114601649
2-methyl-2-[3-(oxolan-3-yl)phenyl]propanoic acid
CID 84796946
2-[3-(oxan-4-yl)phenoxy]ethanol
CID 115033332
1-(3-cyclobutylphenyl)-1-cyclopropylethanol
CID 114601106
1-[3-(oxan-4-yl)phenyl]propan-2-amine
CID 117313397
2-methyl-2-[4-(oxetan-3-yl)phenyl]propan-1-ol
CID 117295102
2-[3-(thian-4-yl)phenyl]propan-2-ol
CID 117345675
2-[(3-cyclopropylphenyl)methylamino]-2-phenylpropan-1-ol
CID 105057814

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[3-(oxan-4-yl)phenyl]propan-1-ol?
The IUPAC name of 2-methyl-2-[3-(oxan-4-yl)phenyl]propan-1-ol (CID 117341023) is 2-methyl-2-[3-(oxan-4-yl)phenyl]propan-1-ol.
What is the SMILES notation for 2-methyl-2-[3-(oxan-4-yl)phenyl]propan-1-ol?
The canonical SMILES for 2-methyl-2-[3-(oxan-4-yl)phenyl]propan-1-ol is CC(C)(CO)c1cccc(C2CCOCC2)c1.
What is the InChIKey of 2-methyl-2-[3-(oxan-4-yl)phenyl]propan-1-ol?
The InChIKey is DENKVFODVHWXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-15(2,11-16)14-5-3-4-13(10-14)12-6-8-17-9-7-12/h3-5,10,12,16H,6-9,11H2,1-2H3.
What are the key properties of 2-methyl-2-[3-(oxan-4-yl)phenyl]propan-1-ol?
2-methyl-2-[3-(oxan-4-yl)phenyl]propan-1-ol has a molecular weight of 234.34 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[3-(oxan-4-yl)phenyl]propan-1-ol is sourced from PubChem (CID 117341023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).