chloro-[2-(2-methylphenoxy)ethyl]phosphane

C9H12ClOP — CID 175343659

IUPACchloro-[2-(2-methylphenoxy)ethyl]phosphane
SMILESCc1ccccc1OCCPCl
InChIInChI=1S/C9H12ClOP/c1-8-4-2-3-5-9(8)11-6-7-12-10/h2-5,12H,6-7H2,1H3
InChIKeyYYGOJDWVUJEJAE-UHFFFAOYSA-N
MW202.62 g/mol
LogP3.21
Rot. Bonds4

About chloro-[2-(2-methylphenoxy)ethyl]phosphane

chloro-[2-(2-methylphenoxy)ethyl]phosphane (PubChem CID 175343659) has the molecular formula C9H12ClOP and a molecular weight of 202.62 g/mol. Its IUPAC name is chloro-[2-(2-methylphenoxy)ethyl]phosphane.

Molecular Properties

Compound Namechloro-[2-(2-methylphenoxy)ethyl]phosphane
PubChem CID175343659
Molecular FormulaC9H12ClOP
Molecular Weight202.62 g/mol
Exact Mass202.03
IUPAC Namechloro-[2-(2-methylphenoxy)ethyl]phosphane
SMILESCc1ccccc1OCCPCl
InChIInChI=1S/C9H12ClOP/c1-8-4-2-3-5-9(8)11-6-7-12-10/h2-5,12H,6-7H2,1H3
InChIKeyYYGOJDWVUJEJAE-UHFFFAOYSA-N
XLogP3.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.62
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-methyl-2-pentoxybenzene
CID 143283195
1-methyl-2-pentadecoxybenzene
CID 154641785
4-(2-methylphenoxy)butane-1-thiol
CID 2063623
N-methyl-2-(2-methylphenoxy)ethanamine;hydrochloride
CID 17178031
11-(2-methylphenoxy)undecan-1-ol
CID 123672662
N-[2-(2-methylphenoxy)ethyl]prop-2-yn-1-amine
CID 60695074
1-fluoro-4-[2-(2-methylphenoxy)ethoxy]benzene
CID 59416560
[2-[2-(2-methylphenoxy)ethoxy]phenyl]methanol
CID 86767907
5-chloro-2-methyl-N-[2-(2-methylphenoxy)ethyl]aniline
CID 54798398
N-[2-(2-methylphenoxy)ethyl]pentan-1-amine
CID 60684172
1-ethoxy-4-[4-(2-methylphenoxy)butoxy]benzene
CID 2283423
2-[4-(2-methylphenoxy)butoxy]ethanamine
CID 82352615

Frequently Asked Questions

What is the IUPAC name of chloro-[2-(2-methylphenoxy)ethyl]phosphane?
The IUPAC name of chloro-[2-(2-methylphenoxy)ethyl]phosphane (CID 175343659) is chloro-[2-(2-methylphenoxy)ethyl]phosphane.
What is the SMILES notation for chloro-[2-(2-methylphenoxy)ethyl]phosphane?
The canonical SMILES for chloro-[2-(2-methylphenoxy)ethyl]phosphane is Cc1ccccc1OCCPCl.
What is the InChIKey of chloro-[2-(2-methylphenoxy)ethyl]phosphane?
The InChIKey is YYGOJDWVUJEJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClOP/c1-8-4-2-3-5-9(8)11-6-7-12-10/h2-5,12H,6-7H2,1H3.
What are the key properties of chloro-[2-(2-methylphenoxy)ethyl]phosphane?
chloro-[2-(2-methylphenoxy)ethyl]phosphane has a molecular weight of 202.62 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-[2-(2-methylphenoxy)ethyl]phosphane is sourced from PubChem (CID 175343659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).