3-[4-(phenoxymethyl)phenyl]prop-2-yn-1-ol

C16H14O2 — CID 54970199

IUPAC3-[4-(phenoxymethyl)phenyl]prop-2-yn-1-ol
SMILESOCC#Cc1ccc(COc2ccccc2)cc1
InChIInChI=1S/C16H14O2/c17-12-4-5-14-8-10-15(11-9-14)13-18-16-6-2-1-3-7-16/h1-3,6-11,17H,12-13H2
InChIKeyRMOINNUFISRKAB-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.61
Rot. Bonds3

About 3-[4-(phenoxymethyl)phenyl]prop-2-yn-1-ol

3-[4-(phenoxymethyl)phenyl]prop-2-yn-1-ol (PubChem CID 54970199) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-[4-(phenoxymethyl)phenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[4-(phenoxymethyl)phenyl]prop-2-yn-1-ol
PubChem CID54970199
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Name3-[4-(phenoxymethyl)phenyl]prop-2-yn-1-ol
SMILESOCC#Cc1ccc(COc2ccccc2)cc1
InChIInChI=1S/C16H14O2/c17-12-4-5-14-8-10-15(11-9-14)13-18-16-6-2-1-3-7-16/h1-3,6-11,17H,12-13H2
InChIKeyRMOINNUFISRKAB-UHFFFAOYSA-N
XLogP2.61
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.61
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

3-[4-[[4-(2-hydroxyethyl)phenoxy]methyl]phenyl]prop-2-yn-1-ol
CID 107709800
3-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]prop-2-yn-1-ol
CID 60799873
3-[4-[(4-chloro-3-fluorophenoxy)methyl]phenyl]prop-2-yn-1-ol
CID 82717242
trimethyl-[2-[4-(phenoxymethyl)phenyl]ethynyl]silane
CID 134093066
1-fluoro-4-(phenoxymethyl)benzene
CID 957495
4-(phenoxymethyl)aniline
CID 12712561
2-(2-hydroxyethoxy)ethanol;phenoxymethylbenzene
CID 174311801
2-[4-(phenoxymethyl)phenyl]acetic acid
CID 12832053
phenoxymethylbenzene;sulfuric acid
CID 68982967
1-(benzenesulfonyl)-4-(phenoxymethyl)benzene
CID 925876
[4-(phenoxymethyl)phenyl]-phenylmethanone
CID 1262878
1-(benzylperoxymethyl)-4-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]benzene
CID 156694250

Frequently Asked Questions

What is the IUPAC name of 3-[4-(phenoxymethyl)phenyl]prop-2-yn-1-ol?
The IUPAC name of 3-[4-(phenoxymethyl)phenyl]prop-2-yn-1-ol (CID 54970199) is 3-[4-(phenoxymethyl)phenyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[4-(phenoxymethyl)phenyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[4-(phenoxymethyl)phenyl]prop-2-yn-1-ol is OCC#Cc1ccc(COc2ccccc2)cc1.
What is the InChIKey of 3-[4-(phenoxymethyl)phenyl]prop-2-yn-1-ol?
The InChIKey is RMOINNUFISRKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2/c17-12-4-5-14-8-10-15(11-9-14)13-18-16-6-2-1-3-7-16/h1-3,6-11,17H,12-13H2.
What are the key properties of 3-[4-(phenoxymethyl)phenyl]prop-2-yn-1-ol?
3-[4-(phenoxymethyl)phenyl]prop-2-yn-1-ol has a molecular weight of 238.29 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(phenoxymethyl)phenyl]prop-2-yn-1-ol is sourced from PubChem (CID 54970199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).