1-(chloromethyl)-4-ethenylbenzene;phosphane

C9H12ClP — CID 87786462

IUPAC1-(chloromethyl)-4-ethenylbenzene;phosphane
SMILESC=Cc1ccc(CCl)cc1.P
InChIInChI=1S/C9H9Cl.H3P/c1-2-8-3-5-9(7-10)6-4-8;/h2-6H,1,7H2;1H3
InChIKeySTVJRZNSGGMFSU-UHFFFAOYSA-N
MW186.62 g/mol
LogP3.13
Rot. Bonds2

About 1-(chloromethyl)-4-ethenylbenzene;phosphane

1-(chloromethyl)-4-ethenylbenzene;phosphane (PubChem CID 87786462) has the molecular formula C9H12ClP and a molecular weight of 186.62 g/mol. Its IUPAC name is 1-(chloromethyl)-4-ethenylbenzene;phosphane.

Molecular Properties

Compound Name1-(chloromethyl)-4-ethenylbenzene;phosphane
PubChem CID87786462
Molecular FormulaC9H12ClP
Molecular Weight186.62 g/mol
Exact Mass186.04
IUPAC Name1-(chloromethyl)-4-ethenylbenzene;phosphane
SMILESC=Cc1ccc(CCl)cc1.P
InChIInChI=1S/C9H9Cl.H3P/c1-2-8-3-5-9(7-10)6-4-8;/h2-6H,1,7H2;1H3
InChIKeySTVJRZNSGGMFSU-UHFFFAOYSA-N
XLogP3.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.62
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(chloromethyl)-4-ethenylbenzene;1-ethenyl-4-methylbenzene
CID 21201014
1,4-bis[(4-ethenylphenyl)methyl]benzene
CID 20738932
1-ethenyl-4-[[4-[[4-[(4-ethenylphenyl)methyl]phenyl]methyl]phenyl]methyl]benzene
CID 163649628
(4-ethenylphenyl)methylazanium
CID 86307073
1-(chloromethyl)-4-ethenylbenzene;methyl 2-methylprop-2-enoate;prop-2-enoic acid
CID 160615171
1-(chloromethyl)-4-ethenylbenzene;2-ethenoxyethanol;1-(2-ethenoxyethoxymethyl)-4-ethenylbenzene
CID 162191992
1-aminopropan-2-ol;1-[bis[(4-ethenylphenyl)methyl]amino]propan-2-ol;1-(chloromethyl)-4-ethenylbenzene
CID 158075036
2-(4-ethenylphenyl)ethane-1,1-diol
CID 166912920
2-amino-2-methylpropane-1,3-diol;2-[bis[(4-ethenylphenyl)methyl]amino]-2-methylpropane-1,3-diol;1-(chloromethyl)-4-ethenylbenzene
CID 160758436
4-ethenylphenol;(4-ethenylphenyl)methanol;phosphane;vanadium
CID 158621664
chloro-tris(4-ethenylphenyl)-[(4-ethenylphenyl)methyl]-λ5-phosphane
CID 176902310
4-[(E)-2-[4-(chloromethyl)phenyl]ethenyl]benzaldehyde
CID 142223936

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-4-ethenylbenzene;phosphane?
The IUPAC name of 1-(chloromethyl)-4-ethenylbenzene;phosphane (CID 87786462) is 1-(chloromethyl)-4-ethenylbenzene;phosphane.
What is the SMILES notation for 1-(chloromethyl)-4-ethenylbenzene;phosphane?
The canonical SMILES for 1-(chloromethyl)-4-ethenylbenzene;phosphane is C=Cc1ccc(CCl)cc1.P.
What is the InChIKey of 1-(chloromethyl)-4-ethenylbenzene;phosphane?
The InChIKey is STVJRZNSGGMFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl.H3P/c1-2-8-3-5-9(7-10)6-4-8;/h2-6H,1,7H2;1H3.
What are the key properties of 1-(chloromethyl)-4-ethenylbenzene;phosphane?
1-(chloromethyl)-4-ethenylbenzene;phosphane has a molecular weight of 186.62 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-4-ethenylbenzene;phosphane is sourced from PubChem (CID 87786462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).