1-[2-(phenylselanylmethoxy)phenyl]prop-2-yn-1-ol

C16H14O2Se — CID 10591551

IUPAC1-[2-(phenylselanylmethoxy)phenyl]prop-2-yn-1-ol
SMILESC#CC(O)c1ccccc1OC[Se]c1ccccc1
InChIInChI=1S/C16H14O2Se/c1-2-15(17)14-10-6-7-11-16(14)18-12-19-13-8-4-3-5-9-13/h1,3-11,15,17H,12H2
InChIKeyVDSHLXAIPYVFST-UHFFFAOYSA-N
MW317.25 g/mol
LogP1.72
Rot. Bonds5

About 1-[2-(phenylselanylmethoxy)phenyl]prop-2-yn-1-ol

1-[2-(phenylselanylmethoxy)phenyl]prop-2-yn-1-ol (PubChem CID 10591551) has the molecular formula C16H14O2Se and a molecular weight of 317.25 g/mol. Its IUPAC name is 1-[2-(phenylselanylmethoxy)phenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name1-[2-(phenylselanylmethoxy)phenyl]prop-2-yn-1-ol
PubChem CID10591551
Molecular FormulaC16H14O2Se
Molecular Weight317.25 g/mol
Exact Mass318.02
IUPAC Name1-[2-(phenylselanylmethoxy)phenyl]prop-2-yn-1-ol
SMILESC#CC(O)c1ccccc1OC[Se]c1ccccc1
InChIInChI=1S/C16H14O2Se/c1-2-15(17)14-10-6-7-11-16(14)18-12-19-13-8-4-3-5-9-13/h1,3-11,15,17H,12H2
InChIKeyVDSHLXAIPYVFST-UHFFFAOYSA-N
XLogP1.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.25
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

carbon monoxide;chromium;1-(2-methoxyphenyl)prop-2-yn-1-ol
CID 11748515
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(1S)-1-(2-prop-2-ynoxyphenyl)propan-1-ol
CID 63365133
1-quinoxalin-5-ylprop-2-yn-1-ol
CID 105106188
1-phenyl-2-phenylselanylbut-3-yn-1-one
CID 139265484
1-[2-(2-methylprop-1-enyl)phenyl]prop-2-yn-1-ol
CID 102255156
2-[(1R)-1-hydroxy-2-phenylselanylethyl]phenol
CID 168868522
4,4-dimethyl-1-(2-prop-2-enoxyphenyl)pent-2-yn-1-ol
CID 102215116
1-[2-[(E)-3-phenylbut-2-enyl]sulfanylphenyl]prop-2-yn-1-ol
CID 102473498
(2R)-1-phenoxybut-3-yn-2-ol
CID 11094952
N-[1-(2-ethoxyphenyl)ethyl]but-3-yn-2-amine
CID 114414920
1-[2-(2-methoxyethoxy)phenyl]-2-phenylethanol
CID 104658697

Frequently Asked Questions

What is the IUPAC name of 1-[2-(phenylselanylmethoxy)phenyl]prop-2-yn-1-ol?
The IUPAC name of 1-[2-(phenylselanylmethoxy)phenyl]prop-2-yn-1-ol (CID 10591551) is 1-[2-(phenylselanylmethoxy)phenyl]prop-2-yn-1-ol.
What is the SMILES notation for 1-[2-(phenylselanylmethoxy)phenyl]prop-2-yn-1-ol?
The canonical SMILES for 1-[2-(phenylselanylmethoxy)phenyl]prop-2-yn-1-ol is C#CC(O)c1ccccc1OC[Se]c1ccccc1.
What is the InChIKey of 1-[2-(phenylselanylmethoxy)phenyl]prop-2-yn-1-ol?
The InChIKey is VDSHLXAIPYVFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2Se/c1-2-15(17)14-10-6-7-11-16(14)18-12-19-13-8-4-3-5-9-13/h1,3-11,15,17H,12H2.
What are the key properties of 1-[2-(phenylselanylmethoxy)phenyl]prop-2-yn-1-ol?
1-[2-(phenylselanylmethoxy)phenyl]prop-2-yn-1-ol has a molecular weight of 317.25 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(phenylselanylmethoxy)phenyl]prop-2-yn-1-ol is sourced from PubChem (CID 10591551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).