(2,3-dichlorocyclopenta-2,4-dien-1-yl)-diphenylphosphane

C17H13Cl2P — CID 87145521

IUPAC(2,3-dichlorocyclopenta-2,4-dien-1-yl)-diphenylphosphane
SMILESClC1=C(Cl)C(P(c2ccccc2)c2ccccc2)C=C1
InChIInChI=1S/C17H13Cl2P/c18-15-11-12-16(17(15)19)20(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12,16H
InChIKeyQSBXJVDSBMGDDQ-UHFFFAOYSA-N
MW319.17 g/mol
LogP4.75
Rot. Bonds3

About (2,3-dichlorocyclopenta-2,4-dien-1-yl)-diphenylphosphane

(2,3-dichlorocyclopenta-2,4-dien-1-yl)-diphenylphosphane (PubChem CID 87145521) has the molecular formula C17H13Cl2P and a molecular weight of 319.17 g/mol. Its IUPAC name is (2,3-dichlorocyclopenta-2,4-dien-1-yl)-diphenylphosphane.

Molecular Properties

Compound Name(2,3-dichlorocyclopenta-2,4-dien-1-yl)-diphenylphosphane
PubChem CID87145521
Molecular FormulaC17H13Cl2P
Molecular Weight319.17 g/mol
Exact Mass318.01
IUPAC Name(2,3-dichlorocyclopenta-2,4-dien-1-yl)-diphenylphosphane
SMILESClC1=C(Cl)C(P(c2ccccc2)c2ccccc2)C=C1
InChIInChI=1S/C17H13Cl2P/c18-15-11-12-16(17(15)19)20(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12,16H
InChIKeyQSBXJVDSBMGDDQ-UHFFFAOYSA-N
XLogP4.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.17
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)-diphenylphosphane;hydrobromide
CID 173182255
(2-chloro-1H-inden-4-yl)-(1H-inden-1-yl)-phenylphosphane
CID 87644681
bis(cyclopentyl(diphenyl)phosphane);dichloromethane
CID 160785084
cyclononyl(diphenyl)phosphane
CID 70908257
(2-ethenylcyclopenta-2,4-dien-1-yl)-diphenylphosphane
CID 102163654
6-[phenyl-[4-(trifluoromethyl)phenyl]phosphanyl]cyclohexa-2,4-dien-1-one
CID 150762300
[(1R,2R)-2-diphenylphosphanylcyclohexyl]-diphenylphosphane
CID 59800266
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
(3-tert-butylcyclopenta-2,4-dien-1-yl)-diphenylphosphane
CID 15822183
carbon monoxide;bis(cyclopentyl(diphenyl)phosphane);iron;molybdenum
CID 117059135
cyclohexa-2,4-dien-1-yl(diphenyl)phosphane
CID 4298218

Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorocyclopenta-2,4-dien-1-yl)-diphenylphosphane?
The IUPAC name of (2,3-dichlorocyclopenta-2,4-dien-1-yl)-diphenylphosphane (CID 87145521) is (2,3-dichlorocyclopenta-2,4-dien-1-yl)-diphenylphosphane.
What is the SMILES notation for (2,3-dichlorocyclopenta-2,4-dien-1-yl)-diphenylphosphane?
The canonical SMILES for (2,3-dichlorocyclopenta-2,4-dien-1-yl)-diphenylphosphane is ClC1=C(Cl)C(P(c2ccccc2)c2ccccc2)C=C1.
What is the InChIKey of (2,3-dichlorocyclopenta-2,4-dien-1-yl)-diphenylphosphane?
The InChIKey is QSBXJVDSBMGDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2P/c18-15-11-12-16(17(15)19)20(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12,16H.
What are the key properties of (2,3-dichlorocyclopenta-2,4-dien-1-yl)-diphenylphosphane?
(2,3-dichlorocyclopenta-2,4-dien-1-yl)-diphenylphosphane has a molecular weight of 319.17 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 (2,3-dichlorocyclopenta-2,4-dien-1-yl)-diphenylphosphane is sourced from PubChem (CID 87145521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).