2-methyl-1-(2-prop-2-ynoxyphenoxy)propan-2-ol

C13H16O3 — CID 109416531

IUPAC2-methyl-1-(2-prop-2-ynoxyphenoxy)propan-2-ol
SMILESC#CCOc1ccccc1OCC(C)(C)O
InChIInChI=1S/C13H16O3/c1-4-9-15-11-7-5-6-8-12(11)16-10-13(2,3)14/h1,5-8,14H,9-10H2,2-3H3
InChIKeyMFRKELIODNGHPF-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.85
Rot. Bonds5

About 2-methyl-1-(2-prop-2-ynoxyphenoxy)propan-2-ol

2-methyl-1-(2-prop-2-ynoxyphenoxy)propan-2-ol (PubChem CID 109416531) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-methyl-1-(2-prop-2-ynoxyphenoxy)propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(2-prop-2-ynoxyphenoxy)propan-2-ol
PubChem CID109416531
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name2-methyl-1-(2-prop-2-ynoxyphenoxy)propan-2-ol
SMILESC#CCOc1ccccc1OCC(C)(C)O
InChIInChI=1S/C13H16O3/c1-4-9-15-11-7-5-6-8-12(11)16-10-13(2,3)14/h1,5-8,14H,9-10H2,2-3H3
InChIKeyMFRKELIODNGHPF-UHFFFAOYSA-N
XLogP1.85
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-methyl-1-(2-methylphenoxy)propan-2-ol
CID 177208153
1-[2-[(1S)-1-hydroxyethyl]phenoxy]-2-methylpropan-2-ol
CID 78931116
1-prop-2-ynoxy-2-[6-(2-prop-2-ynoxyphenoxy)hexa-2,4-diynoxy]benzene
CID 11089987
2-(2-hydroxy-2-methylpropoxy)benzaldehyde
CID 60884222
1,2-bis(2,2-dimethylpropoxy)benzene
CID 15508253
2-methyl-2-[(2-prop-2-ynoxyphenyl)methylamino]propan-1-ol
CID 28725565
N-methyl-2-prop-2-ynoxyaniline
CID 130693648
1-bromo-2-tert-butyl-3-prop-2-ynoxybenzene
CID 146377355
(1S)-1-(2-prop-2-ynoxyphenyl)propan-1-ol
CID 63365133
1-[2-[(1R)-1-hydroxypropyl]phenoxy]-2-methylpropan-2-ol
CID 78930642
2,3-bis(prop-2-ynoxy)phenol
CID 139940757
2-prop-2-ynoxybenzonitrile
CID 11040948

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-prop-2-ynoxyphenoxy)propan-2-ol?
The IUPAC name of 2-methyl-1-(2-prop-2-ynoxyphenoxy)propan-2-ol (CID 109416531) is 2-methyl-1-(2-prop-2-ynoxyphenoxy)propan-2-ol.
What is the SMILES notation for 2-methyl-1-(2-prop-2-ynoxyphenoxy)propan-2-ol?
The canonical SMILES for 2-methyl-1-(2-prop-2-ynoxyphenoxy)propan-2-ol is C#CCOc1ccccc1OCC(C)(C)O.
What is the InChIKey of 2-methyl-1-(2-prop-2-ynoxyphenoxy)propan-2-ol?
The InChIKey is MFRKELIODNGHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-4-9-15-11-7-5-6-8-12(11)16-10-13(2,3)14/h1,5-8,14H,9-10H2,2-3H3.
What are the key properties of 2-methyl-1-(2-prop-2-ynoxyphenoxy)propan-2-ol?
2-methyl-1-(2-prop-2-ynoxyphenoxy)propan-2-ol has a molecular weight of 220.27 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-prop-2-ynoxyphenoxy)propan-2-ol is sourced from PubChem (CID 109416531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).