2-(4-methyl-5-phenylmethoxypent-2-ynoxy)ethanol

C15H20O3 — CID 71446241

IUPAC2-(4-methyl-5-phenylmethoxypent-2-ynoxy)ethanol
SMILESCC(C#CCOCCO)COCc1ccccc1
InChIInChI=1S/C15H20O3/c1-14(6-5-10-17-11-9-16)12-18-13-15-7-3-2-4-8-15/h2-4,7-8,14,16H,9-13H2,1H3
InChIKeyHBGFFESNQSAOLP-UHFFFAOYSA-N
MW248.32 g/mol
LogP1.85
Rot. Bonds7

About 2-(4-methyl-5-phenylmethoxypent-2-ynoxy)ethanol

2-(4-methyl-5-phenylmethoxypent-2-ynoxy)ethanol (PubChem CID 71446241) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 2-(4-methyl-5-phenylmethoxypent-2-ynoxy)ethanol.

Molecular Properties

Compound Name2-(4-methyl-5-phenylmethoxypent-2-ynoxy)ethanol
PubChem CID71446241
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name2-(4-methyl-5-phenylmethoxypent-2-ynoxy)ethanol
SMILESCC(C#CCOCCO)COCc1ccccc1
InChIInChI=1S/C15H20O3/c1-14(6-5-10-17-11-9-16)12-18-13-15-7-3-2-4-8-15/h2-4,7-8,14,16H,9-13H2,1H3
InChIKeyHBGFFESNQSAOLP-UHFFFAOYSA-N
XLogP1.85
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2S)-1-phenylmethoxypropan-2-yl]oxyethanol
CID 165127908
CID 23630539
CID 23630539
4-methyl-7-phenylmethoxyheptan-1-ol
CID 142091030
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108
(2S,4R,6S)-2,4,6-trimethyl-7-phenylmethoxyheptan-1-ol
CID 134854729
2-(2-methoxyethoxy)ethanol;2-phenylmethoxyethanol
CID 138692115
methanol;2-methylpropoxymethanol;2-methylpropoxymethylbenzene
CID 165070743
1-phenylmethoxyhex-4-yn-2-ol
CID 14428391
(3R,4R)-4-methyl-5-phenylmethoxypentane-1,3-diol
CID 101210751
(2S)-1-phenylmethoxyhex-4-yn-2-ol
CID 14428392
[(2R)-3-iodo-2-methylpropoxy]methylbenzene
CID 10334380
(2R,3R)-2-methyl-4-phenylmethoxybutane-1,3-diol
CID 13112308

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-5-phenylmethoxypent-2-ynoxy)ethanol?
The IUPAC name of 2-(4-methyl-5-phenylmethoxypent-2-ynoxy)ethanol (CID 71446241) is 2-(4-methyl-5-phenylmethoxypent-2-ynoxy)ethanol.
What is the SMILES notation for 2-(4-methyl-5-phenylmethoxypent-2-ynoxy)ethanol?
The canonical SMILES for 2-(4-methyl-5-phenylmethoxypent-2-ynoxy)ethanol is CC(C#CCOCCO)COCc1ccccc1.
What is the InChIKey of 2-(4-methyl-5-phenylmethoxypent-2-ynoxy)ethanol?
The InChIKey is HBGFFESNQSAOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-14(6-5-10-17-11-9-16)12-18-13-15-7-3-2-4-8-15/h2-4,7-8,14,16H,9-13H2,1H3.
What are the key properties of 2-(4-methyl-5-phenylmethoxypent-2-ynoxy)ethanol?
2-(4-methyl-5-phenylmethoxypent-2-ynoxy)ethanol has a molecular weight of 248.32 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-5-phenylmethoxypent-2-ynoxy)ethanol is sourced from PubChem (CID 71446241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).