bis(3-chloropropyl)-(naphthalen-1-ylmethyl)phosphane

C17H21Cl2P — CID 13446577

IUPACbis(3-chloropropyl)-(naphthalen-1-ylmethyl)phosphane
SMILESClCCCP(CCCCl)Cc1cccc2ccccc12
InChIInChI=1S/C17H21Cl2P/c18-10-4-12-20(13-5-11-19)14-16-8-3-7-15-6-1-2-9-17(15)16/h1-3,6-9H,4-5,10-14H2
InChIKeyNJUIOIFJEFQUTC-UHFFFAOYSA-N
MW327.23 g/mol
LogP6.08
Rot. Bonds8

About bis(3-chloropropyl)-(naphthalen-1-ylmethyl)phosphane

bis(3-chloropropyl)-(naphthalen-1-ylmethyl)phosphane (PubChem CID 13446577) has the molecular formula C17H21Cl2P and a molecular weight of 327.23 g/mol. Its IUPAC name is bis(3-chloropropyl)-(naphthalen-1-ylmethyl)phosphane.

Molecular Properties

Compound Namebis(3-chloropropyl)-(naphthalen-1-ylmethyl)phosphane
PubChem CID13446577
Molecular FormulaC17H21Cl2P
Molecular Weight327.23 g/mol
Exact Mass326.08
IUPAC Namebis(3-chloropropyl)-(naphthalen-1-ylmethyl)phosphane
SMILESClCCCP(CCCCl)Cc1cccc2ccccc12
InChIInChI=1S/C17H21Cl2P/c18-10-4-12-20(13-5-11-19)14-16-8-3-7-15-6-1-2-9-17(15)16/h1-3,6-9H,4-5,10-14H2
InChIKeyNJUIOIFJEFQUTC-UHFFFAOYSA-N
XLogP6.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.23
LogP ≤ 56.08
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

CID 66760372
CID 66760372
N-(5-chloropentyl)-2-naphthalen-1-ylacetamide
CID 107321302
CID 57419547
CID 57419547
2-naphthalen-1-ylethyl(diphenyl)phosphane
CID 173438152
bis(naphthalen-1-ylmethyl)azanium
CID 4663788
azane;1-ethylnaphthalene
CID 19048185
1-[2-(2-chlorophenyl)ethyl]naphthalene
CID 20686215
9-(3-chloropropyl)carbazole
CID 14737436
3-naphthalen-1-ylpropan-1-ol
CID 14711518
bis(2-adamantyl)-(naphthalen-1-ylmethyl)phosphane
CID 66781139
1-chloropentane;perylene
CID 174651563
1-(phenylselanylmethyl)naphthalene
CID 12681932

Frequently Asked Questions

What is the IUPAC name of bis(3-chloropropyl)-(naphthalen-1-ylmethyl)phosphane?
The IUPAC name of bis(3-chloropropyl)-(naphthalen-1-ylmethyl)phosphane (CID 13446577) is bis(3-chloropropyl)-(naphthalen-1-ylmethyl)phosphane.
What is the SMILES notation for bis(3-chloropropyl)-(naphthalen-1-ylmethyl)phosphane?
The canonical SMILES for bis(3-chloropropyl)-(naphthalen-1-ylmethyl)phosphane is ClCCCP(CCCCl)Cc1cccc2ccccc12.
What is the InChIKey of bis(3-chloropropyl)-(naphthalen-1-ylmethyl)phosphane?
The InChIKey is NJUIOIFJEFQUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Cl2P/c18-10-4-12-20(13-5-11-19)14-16-8-3-7-15-6-1-2-9-17(15)16/h1-3,6-9H,4-5,10-14H2.
What are the key properties of bis(3-chloropropyl)-(naphthalen-1-ylmethyl)phosphane?
bis(3-chloropropyl)-(naphthalen-1-ylmethyl)phosphane has a molecular weight of 327.23 g/mol, XLogP of 6.08, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-chloropropyl)-(naphthalen-1-ylmethyl)phosphane is sourced from PubChem (CID 13446577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).