(6-methylidenecyclohexa-2,4-dien-1-yl)-diphenylphosphane;hydrobromide

C19H18BrP — CID 173182255

IUPAC(6-methylidenecyclohexa-2,4-dien-1-yl)-diphenylphosphane;hydrobromide
SMILESBr.C=C1C=CC=CC1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H17P.BrH/c1-16-10-8-9-15-19(16)20(17-11-4-2-5-12-17)18-13-6-3-7-14-18;/h2-15,19H,1H2;1H
InChIKeyVZWYXFLVCZWQGA-UHFFFAOYSA-N
MW357.23 g/mol
LogP4.75
Rot. Bonds3

About (6-methylidenecyclohexa-2,4-dien-1-yl)-diphenylphosphane;hydrobromide

(6-methylidenecyclohexa-2,4-dien-1-yl)-diphenylphosphane;hydrobromide (PubChem CID 173182255) has the molecular formula C19H18BrP and a molecular weight of 357.23 g/mol. Its IUPAC name is (6-methylidenecyclohexa-2,4-dien-1-yl)-diphenylphosphane;hydrobromide.

Molecular Properties

Compound Name(6-methylidenecyclohexa-2,4-dien-1-yl)-diphenylphosphane;hydrobromide
PubChem CID173182255
Molecular FormulaC19H18BrP
Molecular Weight357.23 g/mol
Exact Mass356.03
IUPAC Name(6-methylidenecyclohexa-2,4-dien-1-yl)-diphenylphosphane;hydrobromide
SMILESBr.C=C1C=CC=CC1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H17P.BrH/c1-16-10-8-9-15-19(16)20(17-11-4-2-5-12-17)18-13-6-3-7-14-18;/h2-15,19H,1H2;1H
InChIKeyVZWYXFLVCZWQGA-UHFFFAOYSA-N
XLogP4.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.23
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(6-methylidenecyclohexa-2,4-dien-1-yl)-bis(2-methylphenyl)phosphane
CID 158900940
(2-ethenylcyclopenta-2,4-dien-1-yl)-diphenylphosphane
CID 102163654
6-[phenyl-[4-(trifluoromethyl)phenyl]phosphanyl]cyclohexa-2,4-dien-1-one
CID 150762300
5-benzhydryl-6-methylidenecyclohexa-1,3-diene
CID 154090112
(2,3-dichlorocyclopenta-2,4-dien-1-yl)-diphenylphosphane
CID 87145521
5-chloro-1-(6-diphenylphosphanylcyclohexa-2,4-dien-1-ylidene)pentan-2-one
CID 70568716
(6-methylcyclohexa-2,4-dien-1-yl)-diphenylphosphane
CID 123887097
cyclohexa-2,4-dien-1-yl(diphenyl)phosphane
CID 4298218
[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-diphenylphosphane
CID 129111578
4-(6-methylidenecyclohexa-2,4-dien-1-yl)-5-phenyl-2H-triazole
CID 141147494
ditert-butyl-[(1R)-1-(5-diphenylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphane
CID 16689860
[(1R,2R)-2-diphenylphosphanylcyclohexyl]-diphenylphosphane
CID 59800266

Frequently Asked Questions

What is the IUPAC name of (6-methylidenecyclohexa-2,4-dien-1-yl)-diphenylphosphane;hydrobromide?
The IUPAC name of (6-methylidenecyclohexa-2,4-dien-1-yl)-diphenylphosphane;hydrobromide (CID 173182255) is (6-methylidenecyclohexa-2,4-dien-1-yl)-diphenylphosphane;hydrobromide.
What is the SMILES notation for (6-methylidenecyclohexa-2,4-dien-1-yl)-diphenylphosphane;hydrobromide?
The canonical SMILES for (6-methylidenecyclohexa-2,4-dien-1-yl)-diphenylphosphane;hydrobromide is Br.C=C1C=CC=CC1P(c1ccccc1)c1ccccc1.
What is the InChIKey of (6-methylidenecyclohexa-2,4-dien-1-yl)-diphenylphosphane;hydrobromide?
The InChIKey is VZWYXFLVCZWQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17P.BrH/c1-16-10-8-9-15-19(16)20(17-11-4-2-5-12-17)18-13-6-3-7-14-18;/h2-15,19H,1H2;1H.
What are the key properties of (6-methylidenecyclohexa-2,4-dien-1-yl)-diphenylphosphane;hydrobromide?
(6-methylidenecyclohexa-2,4-dien-1-yl)-diphenylphosphane;hydrobromide has a molecular weight of 357.23 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methylidenecyclohexa-2,4-dien-1-yl)-diphenylphosphane;hydrobromide is sourced from PubChem (CID 173182255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).