2-methyl-1-(1-phenylprop-2-ynoxy)propan-2-ol

C13H16O2 — CID 174922724

IUPAC2-methyl-1-(1-phenylprop-2-ynoxy)propan-2-ol
SMILESC#CC(OCC(C)(C)O)c1ccccc1
InChIInChI=1S/C13H16O2/c1-4-12(15-10-13(2,3)14)11-8-6-5-7-9-11/h1,5-9,12,14H,10H2,2-3H3
InChIKeyCBNSAQPXRLVQBX-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.15
Rot. Bonds4

About 2-methyl-1-(1-phenylprop-2-ynoxy)propan-2-ol

2-methyl-1-(1-phenylprop-2-ynoxy)propan-2-ol (PubChem CID 174922724) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-methyl-1-(1-phenylprop-2-ynoxy)propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(1-phenylprop-2-ynoxy)propan-2-ol
PubChem CID174922724
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name2-methyl-1-(1-phenylprop-2-ynoxy)propan-2-ol
SMILESC#CC(OCC(C)(C)O)c1ccccc1
InChIInChI=1S/C13H16O2/c1-4-12(15-10-13(2,3)14)11-8-6-5-7-9-11/h1,5-9,12,14H,10H2,2-3H3
InChIKeyCBNSAQPXRLVQBX-UHFFFAOYSA-N
XLogP2.15
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

[(1R)-1-phenylmethoxyprop-2-ynyl]benzene
CID 177433534
1-(2-ethoxypropan-2-yloxy)prop-2-ynylbenzene
CID 135072184
4-[(1S)-1-phenylprop-2-ynoxy]butane-1,3-diol
CID 174922718
4-chloro-2-methyl-4-phenylbutan-2-ol
CID 174946431
1-phenylprop-2-ynyl methanesulfinate
CID 11805600
1-(1-diphenylphosphorylethoxy)-2-methylpropan-2-ol
CID 14928098
[4-[dimethyl(1-phenylprop-2-ynoxy)silyl]phenyl]-dimethyl-(1-phenylprop-2-ynoxy)silane
CID 71389166
2-methyl-4-phenyl-4-propan-2-yloxybutan-2-ol
CID 142601392
1-ethenoxyprop-2-ynylbenzene
CID 71418172
2-methyl-1-(2-prop-2-ynoxyphenoxy)propan-2-ol
CID 109416531
(4S)-2-methyl-4-phenylpentan-2-ol
CID 129361688
(1S,3R)-1,3-diphenylbutane-1,3-diol
CID 13113333

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1-phenylprop-2-ynoxy)propan-2-ol?
The IUPAC name of 2-methyl-1-(1-phenylprop-2-ynoxy)propan-2-ol (CID 174922724) is 2-methyl-1-(1-phenylprop-2-ynoxy)propan-2-ol.
What is the SMILES notation for 2-methyl-1-(1-phenylprop-2-ynoxy)propan-2-ol?
The canonical SMILES for 2-methyl-1-(1-phenylprop-2-ynoxy)propan-2-ol is C#CC(OCC(C)(C)O)c1ccccc1.
What is the InChIKey of 2-methyl-1-(1-phenylprop-2-ynoxy)propan-2-ol?
The InChIKey is CBNSAQPXRLVQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-4-12(15-10-13(2,3)14)11-8-6-5-7-9-11/h1,5-9,12,14H,10H2,2-3H3.
What are the key properties of 2-methyl-1-(1-phenylprop-2-ynoxy)propan-2-ol?
2-methyl-1-(1-phenylprop-2-ynoxy)propan-2-ol has a molecular weight of 204.27 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1-phenylprop-2-ynoxy)propan-2-ol is sourced from PubChem (CID 174922724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).