2-(2-but-2-ynoxyphenyl)ethanol

C12H14O2 — CID 107258140

IUPAC2-(2-but-2-ynoxyphenyl)ethanol
SMILESCC#CCOc1ccccc1CCO
InChIInChI=1S/C12H14O2/c1-2-3-10-14-12-7-5-4-6-11(12)8-9-13/h4-7,13H,8-10H2,1H3
InChIKeyQJTKJCAKQACOKL-UHFFFAOYSA-N
MW190.24 g/mol
LogP1.62
Rot. Bonds4

About 2-(2-but-2-ynoxyphenyl)ethanol

2-(2-but-2-ynoxyphenyl)ethanol (PubChem CID 107258140) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 2-(2-but-2-ynoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(2-but-2-ynoxyphenyl)ethanol
PubChem CID107258140
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name2-(2-but-2-ynoxyphenyl)ethanol
SMILESCC#CCOc1ccccc1CCO
InChIInChI=1S/C12H14O2/c1-2-3-10-14-12-7-5-4-6-11(12)8-9-13/h4-7,13H,8-10H2,1H3
InChIKeyQJTKJCAKQACOKL-UHFFFAOYSA-N
XLogP1.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 51.62
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

2-[2-(3-phenylprop-2-ynoxy)phenyl]ethanol
CID 107713342
2-(2-pentoxyphenyl)ethanol
CID 91657515
2-[2-(4-methoxybutoxy)phenyl]ethanol
CID 107258154
2-[2-(3-amino-2-methylpropoxy)phenyl]ethanol
CID 107713014
1-(2-but-2-ynoxyphenyl)ethanol
CID 62311561
2-[2-[3-(ethylamino)-2-methylpropoxy]phenyl]ethanol
CID 107713005
2,3-bis(but-2-ynoxy)naphthalene
CID 155470576
2-[2-(3-aminopropoxy)phenyl]ethanol
CID 107712249
2-[2-(2-methoxypropoxy)phenyl]ethanol
CID 107713250
2-[2-[(2,6-dimethylphenyl)methoxy]phenyl]ethanol
CID 107713072
2-but-2-ynoxybenzamide
CID 177469094
2-[2-(3-phenoxypropoxy)phenyl]ethanol
CID 107258184

Frequently Asked Questions

What is the IUPAC name of 2-(2-but-2-ynoxyphenyl)ethanol?
The IUPAC name of 2-(2-but-2-ynoxyphenyl)ethanol (CID 107258140) is 2-(2-but-2-ynoxyphenyl)ethanol.
What is the SMILES notation for 2-(2-but-2-ynoxyphenyl)ethanol?
The canonical SMILES for 2-(2-but-2-ynoxyphenyl)ethanol is CC#CCOc1ccccc1CCO.
What is the InChIKey of 2-(2-but-2-ynoxyphenyl)ethanol?
The InChIKey is QJTKJCAKQACOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-2-3-10-14-12-7-5-4-6-11(12)8-9-13/h4-7,13H,8-10H2,1H3.
What are the key properties of 2-(2-but-2-ynoxyphenyl)ethanol?
2-(2-but-2-ynoxyphenyl)ethanol has a molecular weight of 190.24 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-but-2-ynoxyphenyl)ethanol is sourced from PubChem (CID 107258140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).