chloro-(2-phenylcyclopenta-1,3-dien-1-yl)phosphane

C11H10ClP — CID 137227869

IUPACchloro-(2-phenylcyclopenta-1,3-dien-1-yl)phosphane
SMILESClPC1=C(c2ccccc2)C=CC1
InChIInChI=1S/C11H10ClP/c12-13-11-8-4-7-10(11)9-5-2-1-3-6-9/h1-7,13H,8H2
InChIKeyGQNDVRFHUSFGIH-UHFFFAOYSA-N
MW208.63 g/mol
LogP4.19
Rot. Bonds2

About chloro-(2-phenylcyclopenta-1,3-dien-1-yl)phosphane

chloro-(2-phenylcyclopenta-1,3-dien-1-yl)phosphane (PubChem CID 137227869) has the molecular formula C11H10ClP and a molecular weight of 208.63 g/mol. Its IUPAC name is chloro-(2-phenylcyclopenta-1,3-dien-1-yl)phosphane.

Molecular Properties

Compound Namechloro-(2-phenylcyclopenta-1,3-dien-1-yl)phosphane
PubChem CID137227869
Molecular FormulaC11H10ClP
Molecular Weight208.63 g/mol
Exact Mass208.02
IUPAC Namechloro-(2-phenylcyclopenta-1,3-dien-1-yl)phosphane
SMILESClPC1=C(c2ccccc2)C=CC1
InChIInChI=1S/C11H10ClP/c12-13-11-8-4-7-10(11)9-5-2-1-3-6-9/h1-7,13H,8H2
InChIKeyGQNDVRFHUSFGIH-UHFFFAOYSA-N
XLogP4.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.63
LogP ≤ 54.19
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

(2-tert-butylcyclopenta-1,4-dien-1-yl)benzene
CID 102207082
1-phenyl-2-(2-phenylcyclopenta-1,3-dien-1-yl)benzene
CID 174368476
beryllium;1,1'-biphenyl;hydride
CID 173156439
1,4-diphenylbenzene;1H-indene
CID 156634731
1,2-diphenylcycloocta-1,3-diene
CID 54091831
2-methyl-3-[2-(2-methyl-5-phenylthiophen-3-yl)cyclopenta-1,3-dien-1-yl]-5-phenylthiophene
CID 59420001
6-ethyl-4-phenyl-1,5-dihydropentalene
CID 15636400
azulene;1H-indene
CID 160524105
tris(3,5-dibenzylphenyl)-(2-phenylcyclopenta-1,3-dien-1-yl)silane
CID 173474766
benzene;tris(1,1'-biphenyl)
CID 162155747
trimethyl-(2-phenylcyclopenta-1,4-dien-1-yl)silane
CID 159054815
4,7-diphenyl-1H-indene
CID 14940861

Frequently Asked Questions

What is the IUPAC name of chloro-(2-phenylcyclopenta-1,3-dien-1-yl)phosphane?
The IUPAC name of chloro-(2-phenylcyclopenta-1,3-dien-1-yl)phosphane (CID 137227869) is chloro-(2-phenylcyclopenta-1,3-dien-1-yl)phosphane.
What is the SMILES notation for chloro-(2-phenylcyclopenta-1,3-dien-1-yl)phosphane?
The canonical SMILES for chloro-(2-phenylcyclopenta-1,3-dien-1-yl)phosphane is ClPC1=C(c2ccccc2)C=CC1.
What is the InChIKey of chloro-(2-phenylcyclopenta-1,3-dien-1-yl)phosphane?
The InChIKey is GQNDVRFHUSFGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClP/c12-13-11-8-4-7-10(11)9-5-2-1-3-6-9/h1-7,13H,8H2.
What are the key properties of chloro-(2-phenylcyclopenta-1,3-dien-1-yl)phosphane?
chloro-(2-phenylcyclopenta-1,3-dien-1-yl)phosphane has a molecular weight of 208.63 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(2-phenylcyclopenta-1,3-dien-1-yl)phosphane is sourced from PubChem (CID 137227869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).