(5-chloro-3-methylnaphthalen-2-yl)phosphane

C11H10ClP — CID 70974446

IUPAC(5-chloro-3-methylnaphthalen-2-yl)phosphane
SMILESCc1cc2c(Cl)cccc2cc1P
InChIInChI=1S/C11H10ClP/c1-7-5-9-8(6-11(7)13)3-2-4-10(9)12/h2-6H,13H2,1H3
InChIKeyMLLSNRRKYIBUTP-UHFFFAOYSA-N
MW208.63 g/mol
LogP3.30
Rot. Bonds

About (5-chloro-3-methylnaphthalen-2-yl)phosphane

(5-chloro-3-methylnaphthalen-2-yl)phosphane (PubChem CID 70974446) has the molecular formula C11H10ClP and a molecular weight of 208.63 g/mol. Its IUPAC name is (5-chloro-3-methylnaphthalen-2-yl)phosphane.

Molecular Properties

Compound Name(5-chloro-3-methylnaphthalen-2-yl)phosphane
PubChem CID70974446
Molecular FormulaC11H10ClP
Molecular Weight208.63 g/mol
Exact Mass208.02
IUPAC Name(5-chloro-3-methylnaphthalen-2-yl)phosphane
SMILESCc1cc2c(Cl)cccc2cc1P
InChIInChI=1S/C11H10ClP/c1-7-5-9-8(6-11(7)13)3-2-4-10(9)12/h2-6H,13H2,1H3
InChIKeyMLLSNRRKYIBUTP-UHFFFAOYSA-N
XLogP3.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.63
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-3-methylnaphthalen-2-yl)phosphane?
The IUPAC name of (5-chloro-3-methylnaphthalen-2-yl)phosphane (CID 70974446) is (5-chloro-3-methylnaphthalen-2-yl)phosphane.
What is the SMILES notation for (5-chloro-3-methylnaphthalen-2-yl)phosphane?
The canonical SMILES for (5-chloro-3-methylnaphthalen-2-yl)phosphane is Cc1cc2c(Cl)cccc2cc1P.
What is the InChIKey of (5-chloro-3-methylnaphthalen-2-yl)phosphane?
The InChIKey is MLLSNRRKYIBUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClP/c1-7-5-9-8(6-11(7)13)3-2-4-10(9)12/h2-6H,13H2,1H3.
What are the key properties of (5-chloro-3-methylnaphthalen-2-yl)phosphane?
(5-chloro-3-methylnaphthalen-2-yl)phosphane has a molecular weight of 208.63 g/mol, XLogP of 3.30, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-3-methylnaphthalen-2-yl)phosphane is sourced from PubChem (CID 70974446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).