1-hex-5-yn-3-yl-4-phenylmethoxybenzene

C19H20O — CID 83932960

IUPAC1-hex-5-yn-3-yl-4-phenylmethoxybenzene
SMILESC#CCC(CC)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H20O/c1-3-8-17(4-2)18-11-13-19(14-12-18)20-15-16-9-6-5-7-10-16/h1,5-7,9-14,17H,4,8,15H2,2H3
InChIKeyRHUKKORIDFTEOT-UHFFFAOYSA-N
MW264.37 g/mol
LogP4.78
Rot. Bonds6

About 1-hex-5-yn-3-yl-4-phenylmethoxybenzene

1-hex-5-yn-3-yl-4-phenylmethoxybenzene (PubChem CID 83932960) has the molecular formula C19H20O and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-hex-5-yn-3-yl-4-phenylmethoxybenzene.

Molecular Properties

Compound Name1-hex-5-yn-3-yl-4-phenylmethoxybenzene
PubChem CID83932960
Molecular FormulaC19H20O
Molecular Weight264.37 g/mol
Exact Mass264.15
IUPAC Name1-hex-5-yn-3-yl-4-phenylmethoxybenzene
SMILESC#CCC(CC)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H20O/c1-3-8-17(4-2)18-11-13-19(14-12-18)20-15-16-9-6-5-7-10-16/h1,5-7,9-14,17H,4,8,15H2,2H3
InChIKeyRHUKKORIDFTEOT-UHFFFAOYSA-N
XLogP4.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-hex-5-yn-3-yl-4-phenylmethoxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-phenylmethoxyphenyl)propan-1-amine
CID 16795854
3-(4-phenylmethoxyphenyl)-4-propoxybutanenitrile
CID 142968702
2-(aminomethyl)-4-(4-phenylmethoxyphenyl)hexan-1-ol
CID 83932910
(3R)-4-hydroxy-3-(4-phenylmethoxyphenyl)butanenitrile
CID 142968538
1-(3-bromopentan-2-yl)-4-phenylmethoxybenzene
CID 79308109
N-ethyl-1-(3-phenylmethoxyphenyl)but-3-yn-1-amine
CID 105077579
1-(4-phenylmethoxyphenyl)ethanethiol
CID 43124131
(1R)-1-(4-phenylmethoxyphenyl)prop-2-en-1-amine
CID 171211164
1-butan-2-yl-4-(phenoxymethyl)benzene
CID 59819141
1-phenylmethoxy-4-propoxybenzene
CID 10728874
ethene;1-ethoxy-4-phenylmethoxybenzene
CID 174705965
1,2-bis(4-phenylmethoxyphenyl)butan-1-one
CID 70452916

Frequently Asked Questions

What is the IUPAC name of 1-hex-5-yn-3-yl-4-phenylmethoxybenzene?
The IUPAC name of 1-hex-5-yn-3-yl-4-phenylmethoxybenzene (CID 83932960) is 1-hex-5-yn-3-yl-4-phenylmethoxybenzene.
What is the SMILES notation for 1-hex-5-yn-3-yl-4-phenylmethoxybenzene?
The canonical SMILES for 1-hex-5-yn-3-yl-4-phenylmethoxybenzene is C#CCC(CC)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 1-hex-5-yn-3-yl-4-phenylmethoxybenzene?
The InChIKey is RHUKKORIDFTEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O/c1-3-8-17(4-2)18-11-13-19(14-12-18)20-15-16-9-6-5-7-10-16/h1,5-7,9-14,17H,4,8,15H2,2H3.
What are the key properties of 1-hex-5-yn-3-yl-4-phenylmethoxybenzene?
1-hex-5-yn-3-yl-4-phenylmethoxybenzene has a molecular weight of 264.37 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hex-5-yn-3-yl-4-phenylmethoxybenzene is sourced from PubChem (CID 83932960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).