1-(4-methoxyphenyl)-3-phenylselanylprop-2-yn-1-ol

C16H14O2Se — CID 135066384

IUPAC1-(4-methoxyphenyl)-3-phenylselanylprop-2-yn-1-ol
SMILESCOc1ccc(C(O)C#C[Se]c2ccccc2)cc1
InChIInChI=1S/C16H14O2Se/c1-18-14-9-7-13(8-10-14)16(17)11-12-19-15-5-3-2-4-6-15/h2-10,16-17H,1H3
InChIKeyQKAYCSYHTPMYMO-UHFFFAOYSA-N
MW317.25 g/mol
LogP1.72
Rot. Bonds3

About 1-(4-methoxyphenyl)-3-phenylselanylprop-2-yn-1-ol

1-(4-methoxyphenyl)-3-phenylselanylprop-2-yn-1-ol (PubChem CID 135066384) has the molecular formula C16H14O2Se and a molecular weight of 317.25 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-phenylselanylprop-2-yn-1-ol.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-phenylselanylprop-2-yn-1-ol
PubChem CID135066384
Molecular FormulaC16H14O2Se
Molecular Weight317.25 g/mol
Exact Mass318.02
IUPAC Name1-(4-methoxyphenyl)-3-phenylselanylprop-2-yn-1-ol
SMILESCOc1ccc(C(O)C#C[Se]c2ccccc2)cc1
InChIInChI=1S/C16H14O2Se/c1-18-14-9-7-13(8-10-14)16(17)11-12-19-15-5-3-2-4-6-15/h2-10,16-17H,1H3
InChIKeyQKAYCSYHTPMYMO-UHFFFAOYSA-N
XLogP1.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

1-(4-fluorophenyl)-3-phenylselanylprop-2-yn-1-ol
CID 46928731
methyl (4R)-4-hydroxy-4-(4-methoxyphenyl)but-2-ynoate
CID 25259228
[4-(4-methoxyphenyl)phenyl]-phenylmethanol
CID 141264274
(1S)-1-(4-methoxyphenyl)hept-2-yn-1-ol
CID 101224445
1-[bis[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]methyl]-4-methoxybenzene
CID 70877905
ethyl 4-hydroxy-4-(4-methoxyphenyl)but-2-ynoate
CID 11149002
1-[4-(2-hydroxyethoxy)phenyl]-3-(4-methoxyphenyl)prop-2-yn-1-ol
CID 67173555
1-methoxy-4-(4-phenylbut-3-yn-2-yl)benzene
CID 53349236
(1R)-1-(4-methoxyphenyl)-3-(4-propylphenyl)prop-2-yn-1-ol
CID 102125831
CID 175713586
CID 175713586
chloro-(4-methoxyphenyl)methanol
CID 130923369
2-(benzenesulfinyl)-2,2-difluoro-1-(4-methoxyphenyl)ethanol
CID 11638185

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-phenylselanylprop-2-yn-1-ol?
The IUPAC name of 1-(4-methoxyphenyl)-3-phenylselanylprop-2-yn-1-ol (CID 135066384) is 1-(4-methoxyphenyl)-3-phenylselanylprop-2-yn-1-ol.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-phenylselanylprop-2-yn-1-ol?
The canonical SMILES for 1-(4-methoxyphenyl)-3-phenylselanylprop-2-yn-1-ol is COc1ccc(C(O)C#C[Se]c2ccccc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-phenylselanylprop-2-yn-1-ol?
The InChIKey is QKAYCSYHTPMYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2Se/c1-18-14-9-7-13(8-10-14)16(17)11-12-19-15-5-3-2-4-6-15/h2-10,16-17H,1H3.
What are the key properties of 1-(4-methoxyphenyl)-3-phenylselanylprop-2-yn-1-ol?
1-(4-methoxyphenyl)-3-phenylselanylprop-2-yn-1-ol has a molecular weight of 317.25 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-phenylselanylprop-2-yn-1-ol is sourced from PubChem (CID 135066384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).