(2-benzyl-1,1-diphenylprop-2-enyl)phosphane;hydrobromide

C22H22BrP — CID 173442565

IUPAC(2-benzyl-1,1-diphenylprop-2-enyl)phosphane;hydrobromide
SMILESBr.C=C(Cc1ccccc1)C(P)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21P.BrH/c1-18(17-19-11-5-2-6-12-19)22(23,20-13-7-3-8-14-20)21-15-9-4-10-16-21;/h2-16H,1,17,23H2;1H
InChIKeyWTGAYWJXMDDPRK-UHFFFAOYSA-N
MW397.30 g/mol
LogP6.18
Rot. Bonds5

About (2-benzyl-1,1-diphenylprop-2-enyl)phosphane;hydrobromide

(2-benzyl-1,1-diphenylprop-2-enyl)phosphane;hydrobromide (PubChem CID 173442565) has the molecular formula C22H22BrP and a molecular weight of 397.30 g/mol. Its IUPAC name is (2-benzyl-1,1-diphenylprop-2-enyl)phosphane;hydrobromide.

Molecular Properties

Compound Name(2-benzyl-1,1-diphenylprop-2-enyl)phosphane;hydrobromide
PubChem CID173442565
Molecular FormulaC22H22BrP
Molecular Weight397.30 g/mol
Exact Mass396.06
IUPAC Name(2-benzyl-1,1-diphenylprop-2-enyl)phosphane;hydrobromide
SMILESBr.C=C(Cc1ccccc1)C(P)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21P.BrH/c1-18(17-19-11-5-2-6-12-19)22(23,20-13-7-3-8-14-20)21-15-9-4-10-16-21;/h2-16H,1,17,23H2;1H
InChIKeyWTGAYWJXMDDPRK-UHFFFAOYSA-N
XLogP6.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.30
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2-benzyl-1,1-diphenylprop-2-enyl)phosphane
CID 70587921
2-methyl-2-(3-phenylprop-1-en-2-yl)propanedioic acid
CID 11948255
[(E)-2,3-dichloro-4-phenylbut-2-enyl]benzene
CID 10588550
(2R)-3-methyl-2-phenylbut-3-en-2-ol
CID 102163421
2-methylidenebutylbenzene
CID 10964655
3-phenylprop-1-en-2-ylboronic acid
CID 139035247
2,4-dibenzylpenta-1,4-dien-3-ol
CID 102034029
1-methyl-4-(3-phenylprop-1-en-2-yl)benzene
CID 134964621
trimethyl(3-phenylprop-1-en-2-yl)silane
CID 530293
3-benzylbut-3-en-1-ol
CID 22764430
formaldehyde;2-phenylacetic acid
CID 70638018
[diphenyl(phosphanyl)methyl]phosphane
CID 23002363

Frequently Asked Questions

What is the IUPAC name of (2-benzyl-1,1-diphenylprop-2-enyl)phosphane;hydrobromide?
The IUPAC name of (2-benzyl-1,1-diphenylprop-2-enyl)phosphane;hydrobromide (CID 173442565) is (2-benzyl-1,1-diphenylprop-2-enyl)phosphane;hydrobromide.
What is the SMILES notation for (2-benzyl-1,1-diphenylprop-2-enyl)phosphane;hydrobromide?
The canonical SMILES for (2-benzyl-1,1-diphenylprop-2-enyl)phosphane;hydrobromide is Br.C=C(Cc1ccccc1)C(P)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2-benzyl-1,1-diphenylprop-2-enyl)phosphane;hydrobromide?
The InChIKey is WTGAYWJXMDDPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21P.BrH/c1-18(17-19-11-5-2-6-12-19)22(23,20-13-7-3-8-14-20)21-15-9-4-10-16-21;/h2-16H,1,17,23H2;1H.
What are the key properties of (2-benzyl-1,1-diphenylprop-2-enyl)phosphane;hydrobromide?
(2-benzyl-1,1-diphenylprop-2-enyl)phosphane;hydrobromide has a molecular weight of 397.30 g/mol, XLogP of 6.18, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzyl-1,1-diphenylprop-2-enyl)phosphane;hydrobromide is sourced from PubChem (CID 173442565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).