3-(4-but-1-ynylphenyl)prop-2-ynylphosphane

C13H13P — CID 70372092

IUPAC3-(4-but-1-ynylphenyl)prop-2-ynylphosphane
SMILESCCC#Cc1ccc(C#CCP)cc1
InChIInChI=1S/C13H13P/c1-2-3-5-12-7-9-13(10-8-12)6-4-11-14/h7-10H,2,11,14H2,1H3
InChIKeyDOZXVRDCVJVNQQ-UHFFFAOYSA-N
MW200.22 g/mol
LogP2.67
Rot. Bonds

About 3-(4-but-1-ynylphenyl)prop-2-ynylphosphane

3-(4-but-1-ynylphenyl)prop-2-ynylphosphane (PubChem CID 70372092) has the molecular formula C13H13P and a molecular weight of 200.22 g/mol. Its IUPAC name is 3-(4-but-1-ynylphenyl)prop-2-ynylphosphane.

Molecular Properties

Compound Name3-(4-but-1-ynylphenyl)prop-2-ynylphosphane
PubChem CID70372092
Molecular FormulaC13H13P
Molecular Weight200.22 g/mol
Exact Mass200.08
IUPAC Name3-(4-but-1-ynylphenyl)prop-2-ynylphosphane
SMILESCCC#Cc1ccc(C#CCP)cc1
InChIInChI=1S/C13H13P/c1-2-3-5-12-7-9-13(10-8-12)6-4-11-14/h7-10H,2,11,14H2,1H3
InChIKeyDOZXVRDCVJVNQQ-UHFFFAOYSA-N
XLogP2.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.22
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3-(4-but-1-ynylphenyl)prop-2-ynylphosphane 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-butyl-4-but-1-ynylbenzene
CID 173385360
5-but-1-ynyl-2-hydroxycyclohepta-2,4,6-trien-1-one
CID 161370693
(4-but-1-ynylphenyl)phosphonic acid
CID 138723166
2,6-bis(but-1-ynyl)anthracene
CID 58131971
1-but-1-ynyl-4-(2-methoxyethoxy)benzene
CID 118700048
but-1-ynylbenzene;2-methylprop-1-ene
CID 164573656
5-but-1-ynyl-1H-indole
CID 174890563
2-(4-but-1-ynylphenyl)-1-hydroxy-5-(4-prop-1-ynylphenyl)pyrrolidine
CID 90848535
6-but-1-ynyl-1H-indazole
CID 58499151
methyl 4-but-1-ynyl-2-methoxybenzoate
CID 156878524
4-hex-1-ynylaniline
CID 11845914
1-ethynyl-4-hex-1-ynylbenzene
CID 19050497

Frequently Asked Questions

What is the IUPAC name of 3-(4-but-1-ynylphenyl)prop-2-ynylphosphane?
The IUPAC name of 3-(4-but-1-ynylphenyl)prop-2-ynylphosphane (CID 70372092) is 3-(4-but-1-ynylphenyl)prop-2-ynylphosphane.
What is the SMILES notation for 3-(4-but-1-ynylphenyl)prop-2-ynylphosphane?
The canonical SMILES for 3-(4-but-1-ynylphenyl)prop-2-ynylphosphane is CCC#Cc1ccc(C#CCP)cc1.
What is the InChIKey of 3-(4-but-1-ynylphenyl)prop-2-ynylphosphane?
The InChIKey is DOZXVRDCVJVNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13P/c1-2-3-5-12-7-9-13(10-8-12)6-4-11-14/h7-10H,2,11,14H2,1H3.
What are the key properties of 3-(4-but-1-ynylphenyl)prop-2-ynylphosphane?
3-(4-but-1-ynylphenyl)prop-2-ynylphosphane has a molecular weight of 200.22 g/mol, XLogP of 2.67, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-but-1-ynylphenyl)prop-2-ynylphosphane is sourced from PubChem (CID 70372092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).