(4-ethylphenyl)phosphane;1-ethynyl-2-methylbenzene

C17H19P — CID 142865381

IUPAC(4-ethylphenyl)phosphane;1-ethynyl-2-methylbenzene
SMILESC#Cc1ccccc1C.CCc1ccc(P)cc1
InChIInChI=1S/C9H8.C8H11P/c1-3-9-7-5-4-6-8(9)2;1-2-7-3-5-8(9)6-4-7/h1,4-7H,2H3;3-6H,2,9H2,1H3
InChIKeyQOXOINHANLHEFH-UHFFFAOYSA-N
MW254.31 g/mol
LogP3.73
Rot. Bonds1

About (4-ethylphenyl)phosphane;1-ethynyl-2-methylbenzene

(4-ethylphenyl)phosphane;1-ethynyl-2-methylbenzene (PubChem CID 142865381) has the molecular formula C17H19P and a molecular weight of 254.31 g/mol. Its IUPAC name is (4-ethylphenyl)phosphane;1-ethynyl-2-methylbenzene.

Molecular Properties

Compound Name(4-ethylphenyl)phosphane;1-ethynyl-2-methylbenzene
PubChem CID142865381
Molecular FormulaC17H19P
Molecular Weight254.31 g/mol
Exact Mass254.12
IUPAC Name(4-ethylphenyl)phosphane;1-ethynyl-2-methylbenzene
SMILESC#Cc1ccccc1C.CCc1ccc(P)cc1
InChIInChI=1S/C9H8.C8H11P/c1-3-9-7-5-4-6-8(9)2;1-2-7-3-5-8(9)6-4-7/h1,4-7H,2H3;3-6H,2,9H2,1H3
InChIKeyQOXOINHANLHEFH-UHFFFAOYSA-N
XLogP3.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 53.73
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'}

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Related Compounds

ethane;1-ethynyl-2-methylbenzene
CID 142087520
1-ethyl-4-(2-ethynylphenyl)benzene
CID 142217203
ethylcyclodecapentaene
CID 90861705
1-(1-ethylcyclopropyl)-2-ethynylbenzene
CID 176962922
alumane;1,4-diethylbenzene
CID 174296012
1,4-diethylbenzene;ethane
CID 91207141
acetylene;ethylbenzene;propane
CID 143490350
1-bromo-4-[(2-ethynylphenyl)methyl]benzene
CID 170712885
ethylbenzene;1-ethyl-4-methylbenzene;propane
CID 160625021
1-ethyl-4-methylcyclodeca-1,3,5,7,9-pentaene
CID 123858491
acetylene;1-ethyl-4-phenylbenzene
CID 175126841
3-(2-methylphenyl)prop-2-yn-1-ol
CID 45156701

Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)phosphane;1-ethynyl-2-methylbenzene?
The IUPAC name of (4-ethylphenyl)phosphane;1-ethynyl-2-methylbenzene (CID 142865381) is (4-ethylphenyl)phosphane;1-ethynyl-2-methylbenzene.
What is the SMILES notation for (4-ethylphenyl)phosphane;1-ethynyl-2-methylbenzene?
The canonical SMILES for (4-ethylphenyl)phosphane;1-ethynyl-2-methylbenzene is C#Cc1ccccc1C.CCc1ccc(P)cc1.
What is the InChIKey of (4-ethylphenyl)phosphane;1-ethynyl-2-methylbenzene?
The InChIKey is QOXOINHANLHEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8.C8H11P/c1-3-9-7-5-4-6-8(9)2;1-2-7-3-5-8(9)6-4-7/h1,4-7H,2H3;3-6H,2,9H2,1H3.
What are the key properties of (4-ethylphenyl)phosphane;1-ethynyl-2-methylbenzene?
(4-ethylphenyl)phosphane;1-ethynyl-2-methylbenzene has a molecular weight of 254.31 g/mol, XLogP of 3.73, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)phosphane;1-ethynyl-2-methylbenzene is sourced from PubChem (CID 142865381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).