1-(2-but-2-ynoxyphenyl)ethanol

C12H14O2 — CID 62311561

IUPAC1-(2-but-2-ynoxyphenyl)ethanol
SMILESCC#CCOc1ccccc1C(C)O
InChIInChI=1S/C12H14O2/c1-3-4-9-14-12-8-6-5-7-11(12)10(2)13/h5-8,10,13H,9H2,1-2H3
InChIKeyDARDUYQEWMXMEP-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.14
Rot. Bonds3

About 1-(2-but-2-ynoxyphenyl)ethanol

1-(2-but-2-ynoxyphenyl)ethanol (PubChem CID 62311561) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 1-(2-but-2-ynoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(2-but-2-ynoxyphenyl)ethanol
PubChem CID62311561
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name1-(2-but-2-ynoxyphenyl)ethanol
SMILESCC#CCOc1ccccc1C(C)O
InChIInChI=1S/C12H14O2/c1-3-4-9-14-12-8-6-5-7-11(12)10(2)13/h5-8,10,13H,9H2,1-2H3
InChIKeyDARDUYQEWMXMEP-UHFFFAOYSA-N
XLogP2.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.14
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

1-(2-but-2-ynoxy-5-methylphenyl)ethanol
CID 62311951
(1S)-1-[2-(2-hydroxyethoxy)phenyl]ethanol
CID 78931625
1-(2-propoxyphenyl)ethanol
CID 43503976
(1S)-1-[2-(pyrimidin-2-ylmethoxy)phenyl]ethanol
CID 78931636
1-[2-(2-phenoxyethoxy)phenyl]ethanol
CID 54794905
(1R)-1-[2-(3-fluoropropoxy)phenyl]ethanol
CID 81114221
1-[2-[(1S)-1-hydroxyethyl]phenoxy]-2-methylpropan-2-ol
CID 78931116
1-[2-(4-methylpentoxy)phenyl]ethanol
CID 112684876
1-(2-but-2-ynoxyphenyl)propan-1-one
CID 62312337
(1R)-1-(2-nonoxyphenyl)ethanol
CID 78944592
(1S)-1-[2-[2-(2-methylpropoxy)ethoxy]phenyl]ethanol
CID 106453765
2-(2-but-2-ynoxyphenyl)ethanol
CID 107258140

Frequently Asked Questions

What is the IUPAC name of 1-(2-but-2-ynoxyphenyl)ethanol?
The IUPAC name of 1-(2-but-2-ynoxyphenyl)ethanol (CID 62311561) is 1-(2-but-2-ynoxyphenyl)ethanol.
What is the SMILES notation for 1-(2-but-2-ynoxyphenyl)ethanol?
The canonical SMILES for 1-(2-but-2-ynoxyphenyl)ethanol is CC#CCOc1ccccc1C(C)O.
What is the InChIKey of 1-(2-but-2-ynoxyphenyl)ethanol?
The InChIKey is DARDUYQEWMXMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-3-4-9-14-12-8-6-5-7-11(12)10(2)13/h5-8,10,13H,9H2,1-2H3.
What are the key properties of 1-(2-but-2-ynoxyphenyl)ethanol?
1-(2-but-2-ynoxyphenyl)ethanol has a molecular weight of 190.24 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-but-2-ynoxyphenyl)ethanol is sourced from PubChem (CID 62311561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).