[2-(chloromethyl)phenyl]-diphenylphosphane;hydrochloride

C19H17Cl2P — CID 172706250

IUPAC[2-(chloromethyl)phenyl]-diphenylphosphane;hydrochloride
SMILESCl.ClCc1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H16ClP.ClH/c20-15-16-9-7-8-14-19(16)21(17-10-3-1-4-11-17)18-12-5-2-6-13-18;/h1-14H,15H2;1H
InChIKeyDPYDINHXKNUBAI-UHFFFAOYSA-N
MW347.23 g/mol
LogP4.61
Rot. Bonds4

About [2-(chloromethyl)phenyl]-diphenylphosphane;hydrochloride

[2-(chloromethyl)phenyl]-diphenylphosphane;hydrochloride (PubChem CID 172706250) has the molecular formula C19H17Cl2P and a molecular weight of 347.23 g/mol. Its IUPAC name is [2-(chloromethyl)phenyl]-diphenylphosphane;hydrochloride.

Molecular Properties

Compound Name[2-(chloromethyl)phenyl]-diphenylphosphane;hydrochloride
PubChem CID172706250
Molecular FormulaC19H17Cl2P
Molecular Weight347.23 g/mol
Exact Mass346.04
IUPAC Name[2-(chloromethyl)phenyl]-diphenylphosphane;hydrochloride
SMILESCl.ClCc1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H16ClP.ClH/c20-15-16-9-7-8-14-19(16)21(17-10-3-1-4-11-17)18-12-5-2-6-13-18;/h1-14H,15H2;1H
InChIKeyDPYDINHXKNUBAI-UHFFFAOYSA-N
XLogP4.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.23
LogP ≤ 54.61
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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Frequently Asked Questions

What is the IUPAC name of [2-(chloromethyl)phenyl]-diphenylphosphane;hydrochloride?
The IUPAC name of [2-(chloromethyl)phenyl]-diphenylphosphane;hydrochloride (CID 172706250) is [2-(chloromethyl)phenyl]-diphenylphosphane;hydrochloride.
What is the SMILES notation for [2-(chloromethyl)phenyl]-diphenylphosphane;hydrochloride?
The canonical SMILES for [2-(chloromethyl)phenyl]-diphenylphosphane;hydrochloride is Cl.ClCc1ccccc1P(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-(chloromethyl)phenyl]-diphenylphosphane;hydrochloride?
The InChIKey is DPYDINHXKNUBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClP.ClH/c20-15-16-9-7-8-14-19(16)21(17-10-3-1-4-11-17)18-12-5-2-6-13-18;/h1-14H,15H2;1H.
What are the key properties of [2-(chloromethyl)phenyl]-diphenylphosphane;hydrochloride?
[2-(chloromethyl)phenyl]-diphenylphosphane;hydrochloride has a molecular weight of 347.23 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(chloromethyl)phenyl]-diphenylphosphane;hydrochloride is sourced from PubChem (CID 172706250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).