1-(4-phenoxyphenyl)but-3-yn-2-ol

C16H14O2 — CID 23170409

IUPAC1-(4-phenoxyphenyl)but-3-yn-2-ol
SMILESC#CC(O)Cc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C16H14O2/c1-2-14(17)12-13-8-10-16(11-9-13)18-15-6-4-3-5-7-15/h1,3-11,14,17H,12H2
InChIKeyWOOUEHOHZKFJJF-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.02
Rot. Bonds4

About 1-(4-phenoxyphenyl)but-3-yn-2-ol

1-(4-phenoxyphenyl)but-3-yn-2-ol (PubChem CID 23170409) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-(4-phenoxyphenyl)but-3-yn-2-ol.

Molecular Properties

Compound Name1-(4-phenoxyphenyl)but-3-yn-2-ol
PubChem CID23170409
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Name1-(4-phenoxyphenyl)but-3-yn-2-ol
SMILESC#CC(O)Cc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C16H14O2/c1-2-14(17)12-13-8-10-16(11-9-13)18-15-6-4-3-5-7-15/h1,3-11,14,17H,12H2
InChIKeyWOOUEHOHZKFJJF-UHFFFAOYSA-N
XLogP3.02
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.02
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-(4-phenoxyphenyl)ethane-1,1-diol
CID 20703819
1-phenoxy-4-prop-2-ynylbenzene
CID 23267247
(3R)-3-hydroxy-4-(4-phenoxyphenyl)butanenitrile
CID 125466058
(2R)-1-phenoxybut-3-yn-2-ol
CID 11094952
2-(4-fluorophenyl)-1-(4-phenoxyphenyl)ethanol
CID 142628862
(1R,2S)-1-amino-1-(4-phenoxyphenyl)-3-phenylpropan-2-ol
CID 171263718
(3R)-3-amino-4-[4-(4-phenoxyphenoxy)phenyl]butan-2-one
CID 59660716
(3R)-3-amino-4-[4-(4-phenoxyphenoxy)phenyl]butan-2-one;hydrochloride
CID 159787435
1-(2-methylpropyl)-4-[4-(4-phenoxyphenyl)sulfonylphenoxy]benzene
CID 139568524
4-methyl-5-(4-phenoxyphenyl)pentan-2-one
CID 83938966
1-(2-methylhex-3-ynyl)-4-phenoxybenzene
CID 83938992
[4-[4-(2-hydroxybut-3-ynyl)phenyl]phenyl] 4-methylbenzoate
CID 20663270

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenoxyphenyl)but-3-yn-2-ol?
The IUPAC name of 1-(4-phenoxyphenyl)but-3-yn-2-ol (CID 23170409) is 1-(4-phenoxyphenyl)but-3-yn-2-ol.
What is the SMILES notation for 1-(4-phenoxyphenyl)but-3-yn-2-ol?
The canonical SMILES for 1-(4-phenoxyphenyl)but-3-yn-2-ol is C#CC(O)Cc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 1-(4-phenoxyphenyl)but-3-yn-2-ol?
The InChIKey is WOOUEHOHZKFJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2/c1-2-14(17)12-13-8-10-16(11-9-13)18-15-6-4-3-5-7-15/h1,3-11,14,17H,12H2.
What are the key properties of 1-(4-phenoxyphenyl)but-3-yn-2-ol?
1-(4-phenoxyphenyl)but-3-yn-2-ol has a molecular weight of 238.29 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenoxyphenyl)but-3-yn-2-ol is sourced from PubChem (CID 23170409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).