[2-(4,4-diethoxybut-2-ynoxy)phenyl]methanol

C15H20O4 — CID 11737148

IUPAC[2-(4,4-diethoxybut-2-ynoxy)phenyl]methanol
SMILESCCOC(C#CCOc1ccccc1CO)OCC
InChIInChI=1S/C15H20O4/c1-3-17-15(18-4-2)10-7-11-19-14-9-6-5-8-13(14)12-16/h5-6,8-9,15-16H,3-4,11-12H2,1-2H3
InChIKeySTFIRPPEIOEUQR-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.96
Rot. Bonds7

About [2-(4,4-diethoxybut-2-ynoxy)phenyl]methanol

[2-(4,4-diethoxybut-2-ynoxy)phenyl]methanol (PubChem CID 11737148) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is [2-(4,4-diethoxybut-2-ynoxy)phenyl]methanol.

Molecular Properties

Compound Name[2-(4,4-diethoxybut-2-ynoxy)phenyl]methanol
PubChem CID11737148
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name[2-(4,4-diethoxybut-2-ynoxy)phenyl]methanol
SMILESCCOC(C#CCOc1ccccc1CO)OCC
InChIInChI=1S/C15H20O4/c1-3-17-15(18-4-2)10-7-11-19-14-9-6-5-8-13(14)12-16/h5-6,8-9,15-16H,3-4,11-12H2,1-2H3
InChIKeySTFIRPPEIOEUQR-UHFFFAOYSA-N
XLogP1.96
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4,4-diethoxybut-2-ynoxy)-2-(iodomethyl)benzene
CID 11235289
[2-(3,3-diethoxypropoxy)phenyl]methanol
CID 63654292
[2-(methoxymethoxy)phenyl]methanol
CID 10920904
[2-(2-propan-2-yloxyethoxy)phenyl]methanol
CID 28945937
2-(2-but-2-ynoxyphenyl)ethanol
CID 107258140
1-[2-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol
CID 114494372
ethyl 2-amino-4-[2-(hydroxymethyl)phenoxy]butanoate
CID 55246185
(2-octoxyphenyl)methanol
CID 43128604
2-[2-(2,2-diethoxyethoxy)phenyl]ethanol
CID 58168566
(2-(111C)methoxyphenyl)methanol
CID 59897789
[2-(hydroxymethyl)phenyl] propanoate
CID 57284127
[2-[2-(2-methylphenoxy)ethoxy]phenyl]methanol
CID 86767907

Frequently Asked Questions

What is the IUPAC name of [2-(4,4-diethoxybut-2-ynoxy)phenyl]methanol?
The IUPAC name of [2-(4,4-diethoxybut-2-ynoxy)phenyl]methanol (CID 11737148) is [2-(4,4-diethoxybut-2-ynoxy)phenyl]methanol.
What is the SMILES notation for [2-(4,4-diethoxybut-2-ynoxy)phenyl]methanol?
The canonical SMILES for [2-(4,4-diethoxybut-2-ynoxy)phenyl]methanol is CCOC(C#CCOc1ccccc1CO)OCC.
What is the InChIKey of [2-(4,4-diethoxybut-2-ynoxy)phenyl]methanol?
The InChIKey is STFIRPPEIOEUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-3-17-15(18-4-2)10-7-11-19-14-9-6-5-8-13(14)12-16/h5-6,8-9,15-16H,3-4,11-12H2,1-2H3.
What are the key properties of [2-(4,4-diethoxybut-2-ynoxy)phenyl]methanol?
[2-(4,4-diethoxybut-2-ynoxy)phenyl]methanol has a molecular weight of 264.32 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4,4-diethoxybut-2-ynoxy)phenyl]methanol is sourced from PubChem (CID 11737148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).