5-(3-methylphenoxy)pentoxyphosphane

C12H19O2P — CID 175344008

IUPAC5-(3-methylphenoxy)pentoxyphosphane
SMILESCc1cccc(OCCCCCOP)c1
InChIInChI=1S/C12H19O2P/c1-11-6-5-7-12(10-11)13-8-3-2-4-9-14-15/h5-7,10H,2-4,8-9,15H2,1H3
InChIKeyIREYPTBQKSZVEU-UHFFFAOYSA-N
MW226.26 g/mol
LogP3.35
Rot. Bonds7

About 5-(3-methylphenoxy)pentoxyphosphane

5-(3-methylphenoxy)pentoxyphosphane (PubChem CID 175344008) has the molecular formula C12H19O2P and a molecular weight of 226.26 g/mol. Its IUPAC name is 5-(3-methylphenoxy)pentoxyphosphane.

Molecular Properties

Compound Name5-(3-methylphenoxy)pentoxyphosphane
PubChem CID175344008
Molecular FormulaC12H19O2P
Molecular Weight226.26 g/mol
Exact Mass226.11
IUPAC Name5-(3-methylphenoxy)pentoxyphosphane
SMILESCc1cccc(OCCCCCOP)c1
InChIInChI=1S/C12H19O2P/c1-11-6-5-7-12(10-11)13-8-3-2-4-9-14-15/h5-7,10H,2-4,8-9,15H2,1H3
InChIKeyIREYPTBQKSZVEU-UHFFFAOYSA-N
XLogP3.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

4-(3-methylphenoxy)butoxyphosphane;hydrobromide
CID 174049050
1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene
CID 2304788
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
1-hexadecoxy-3-methylbenzene
CID 154641790
1-methyl-3-pentadecoxybenzene
CID 154641822
3-[4-(3-methylphenoxy)butoxy]aniline
CID 39109349
1-methoxy-4-[4-(3-methylphenoxy)butoxy]benzene
CID 2251707
1-(3-iodopropoxy)-3-methylbenzene
CID 64788353
1-ethoxy-3-[3-(3-methylphenoxy)propoxy]benzene
CID 2284499
N-butyl-6-(3-methylphenoxy)hexan-1-amine
CID 2249508
1-[6-(3-methylphenoxy)hexyl]pyrrolidine
CID 2057335
methyl-[2-(3-methylphenoxy)ethyl]azanium
CID 7131761

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylphenoxy)pentoxyphosphane?
The IUPAC name of 5-(3-methylphenoxy)pentoxyphosphane (CID 175344008) is 5-(3-methylphenoxy)pentoxyphosphane.
What is the SMILES notation for 5-(3-methylphenoxy)pentoxyphosphane?
The canonical SMILES for 5-(3-methylphenoxy)pentoxyphosphane is Cc1cccc(OCCCCCOP)c1.
What is the InChIKey of 5-(3-methylphenoxy)pentoxyphosphane?
The InChIKey is IREYPTBQKSZVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19O2P/c1-11-6-5-7-12(10-11)13-8-3-2-4-9-14-15/h5-7,10H,2-4,8-9,15H2,1H3.
What are the key properties of 5-(3-methylphenoxy)pentoxyphosphane?
5-(3-methylphenoxy)pentoxyphosphane has a molecular weight of 226.26 g/mol, XLogP of 3.35, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylphenoxy)pentoxyphosphane is sourced from PubChem (CID 175344008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).