[5-ethynyl-3-(hydroxymethyl)-2-[2-(2-methoxyethoxy)ethoxy]phenyl]methanol

C15H20O5 — CID 102421816

IUPAC[5-ethynyl-3-(hydroxymethyl)-2-[2-(2-methoxyethoxy)ethoxy]phenyl]methanol
SMILESC#Cc1cc(CO)c(OCCOCCOC)c(CO)c1
InChIInChI=1S/C15H20O5/c1-3-12-8-13(10-16)15(14(9-12)11-17)20-7-6-19-5-4-18-2/h1,8-9,16-17H,4-7,10-11H2,2H3
InChIKeyWYDCSOLOIKDUKW-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.69
Rot. Bonds9

About [5-ethynyl-3-(hydroxymethyl)-2-[2-(2-methoxyethoxy)ethoxy]phenyl]methanol

[5-ethynyl-3-(hydroxymethyl)-2-[2-(2-methoxyethoxy)ethoxy]phenyl]methanol (PubChem CID 102421816) has the molecular formula C15H20O5 and a molecular weight of 280.32 g/mol. Its IUPAC name is [5-ethynyl-3-(hydroxymethyl)-2-[2-(2-methoxyethoxy)ethoxy]phenyl]methanol.

Molecular Properties

Compound Name[5-ethynyl-3-(hydroxymethyl)-2-[2-(2-methoxyethoxy)ethoxy]phenyl]methanol
PubChem CID102421816
Molecular FormulaC15H20O5
Molecular Weight280.32 g/mol
Exact Mass280.13
IUPAC Name[5-ethynyl-3-(hydroxymethyl)-2-[2-(2-methoxyethoxy)ethoxy]phenyl]methanol
SMILESC#Cc1cc(CO)c(OCCOCCOC)c(CO)c1
InChIInChI=1S/C15H20O5/c1-3-12-8-13(10-16)15(14(9-12)11-17)20-7-6-19-5-4-18-2/h1,8-9,16-17H,4-7,10-11H2,2H3
InChIKeyWYDCSOLOIKDUKW-UHFFFAOYSA-N
XLogP0.69
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

[4-(hydroxymethyl)-2,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanol
CID 86247130
[5-ethynyl-3-(hydroxymethyl)-2-phenylmethoxyphenyl]methanol
CID 102082919
[5-bromo-2-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]methanol
CID 104564186
[2-[2-[2-[2-[2,6-bis(hydroxymethyl)-4-phenylphenoxy]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)-5-phenylphenyl]methanol
CID 71560113
[2-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]methanol
CID 104564183
(2-but-3-ynoxy-5-chloro-3-methoxyphenyl)methanol
CID 104665943
[3-fluoro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methanol
CID 103180585
3,4-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]cyclobut-3-ene-1,2-dione
CID 169054321
2-[2-[5-(2-methoxyethoxy)naphthalen-1-yl]oxyethoxy]ethanol
CID 58864087
(E)-3-[4-[2-[2-[2-[4-[(E)-2-carboxyethenyl]-2,6-dimethoxyphenoxy]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)-5-methoxyphenyl]prop-2-enoic acid
CID 89033467
1-chloro-3-(chloromethyl)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene
CID 104564283
2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4,5-dimethylphenoxy]ethoxy]ethoxy]ethanol
CID 59950660

Frequently Asked Questions

What is the IUPAC name of [5-ethynyl-3-(hydroxymethyl)-2-[2-(2-methoxyethoxy)ethoxy]phenyl]methanol?
The IUPAC name of [5-ethynyl-3-(hydroxymethyl)-2-[2-(2-methoxyethoxy)ethoxy]phenyl]methanol (CID 102421816) is [5-ethynyl-3-(hydroxymethyl)-2-[2-(2-methoxyethoxy)ethoxy]phenyl]methanol.
What is the SMILES notation for [5-ethynyl-3-(hydroxymethyl)-2-[2-(2-methoxyethoxy)ethoxy]phenyl]methanol?
The canonical SMILES for [5-ethynyl-3-(hydroxymethyl)-2-[2-(2-methoxyethoxy)ethoxy]phenyl]methanol is C#Cc1cc(CO)c(OCCOCCOC)c(CO)c1.
What is the InChIKey of [5-ethynyl-3-(hydroxymethyl)-2-[2-(2-methoxyethoxy)ethoxy]phenyl]methanol?
The InChIKey is WYDCSOLOIKDUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O5/c1-3-12-8-13(10-16)15(14(9-12)11-17)20-7-6-19-5-4-18-2/h1,8-9,16-17H,4-7,10-11H2,2H3.
What are the key properties of [5-ethynyl-3-(hydroxymethyl)-2-[2-(2-methoxyethoxy)ethoxy]phenyl]methanol?
[5-ethynyl-3-(hydroxymethyl)-2-[2-(2-methoxyethoxy)ethoxy]phenyl]methanol has a molecular weight of 280.32 g/mol, XLogP of 0.69, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-ethynyl-3-(hydroxymethyl)-2-[2-(2-methoxyethoxy)ethoxy]phenyl]methanol is sourced from PubChem (CID 102421816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).