2-[2-(3-phenylprop-2-ynoxy)phenyl]ethanol

C17H16O2 — CID 107713342

IUPAC2-[2-(3-phenylprop-2-ynoxy)phenyl]ethanol
SMILESOCCc1ccccc1OCC#Cc1ccccc1
InChIInChI=1S/C17H16O2/c18-13-12-16-10-4-5-11-17(16)19-14-6-9-15-7-2-1-3-8-15/h1-5,7-8,10-11,18H,12-14H2
InChIKeyBMJSEYWAIZSKNC-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.65
Rot. Bonds4

About 2-[2-(3-phenylprop-2-ynoxy)phenyl]ethanol

2-[2-(3-phenylprop-2-ynoxy)phenyl]ethanol (PubChem CID 107713342) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-[2-(3-phenylprop-2-ynoxy)phenyl]ethanol.

Molecular Properties

Compound Name2-[2-(3-phenylprop-2-ynoxy)phenyl]ethanol
PubChem CID107713342
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name2-[2-(3-phenylprop-2-ynoxy)phenyl]ethanol
SMILESOCCc1ccccc1OCC#Cc1ccccc1
InChIInChI=1S/C17H16O2/c18-13-12-16-10-4-5-11-17(16)19-14-6-9-15-7-2-1-3-8-15/h1-5,7-8,10-11,18H,12-14H2
InChIKeyBMJSEYWAIZSKNC-UHFFFAOYSA-N
XLogP2.65
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.65
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-but-2-ynoxyphenyl)ethanol
CID 107258140
1-ethyl-2-(3-phenylprop-2-ynoxy)benzene
CID 64765483
N-[[2-(3-phenylprop-2-ynoxy)phenyl]methyl]ethanamine
CID 62339166
2-[2-(3-phenoxypropoxy)phenyl]ethanol
CID 107258184
2-methyl-3-(3-phenylprop-2-ynoxy)phenol
CID 62339193
N-[[5-fluoro-2-(3-phenylprop-2-ynoxy)phenyl]methyl]ethanamine
CID 107695708
[3-chloro-4-(3-phenylprop-2-ynoxy)phenyl]methanol
CID 62338839
1-chloro-4-[3-[2-(2-phenylethynyl)phenoxy]prop-1-ynyl]benzene
CID 72724381
N-[2-(3-phenylprop-2-ynoxy)phenyl]benzamide
CID 11404659
2-[2-chloro-6-(3-phenylprop-2-ynoxy)phenyl]ethanamine
CID 114321429
2-[2-(3-aminopropoxy)phenyl]ethanol
CID 107712249
3-[2-[[2-(2-hydroxyethyl)phenoxy]methyl]thiophen-3-yl]prop-2-yn-1-ol
CID 107713889

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-phenylprop-2-ynoxy)phenyl]ethanol?
The IUPAC name of 2-[2-(3-phenylprop-2-ynoxy)phenyl]ethanol (CID 107713342) is 2-[2-(3-phenylprop-2-ynoxy)phenyl]ethanol.
What is the SMILES notation for 2-[2-(3-phenylprop-2-ynoxy)phenyl]ethanol?
The canonical SMILES for 2-[2-(3-phenylprop-2-ynoxy)phenyl]ethanol is OCCc1ccccc1OCC#Cc1ccccc1.
What is the InChIKey of 2-[2-(3-phenylprop-2-ynoxy)phenyl]ethanol?
The InChIKey is BMJSEYWAIZSKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c18-13-12-16-10-4-5-11-17(16)19-14-6-9-15-7-2-1-3-8-15/h1-5,7-8,10-11,18H,12-14H2.
What are the key properties of 2-[2-(3-phenylprop-2-ynoxy)phenyl]ethanol?
2-[2-(3-phenylprop-2-ynoxy)phenyl]ethanol has a molecular weight of 252.31 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-phenylprop-2-ynoxy)phenyl]ethanol is sourced from PubChem (CID 107713342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).