4-(3-methylphenoxy)butoxyphosphane;hydrobromide

C11H18BrO2P — CID 174049050

IUPAC4-(3-methylphenoxy)butoxyphosphane;hydrobromide
SMILESBr.Cc1cccc(OCCCCOP)c1
InChIInChI=1S/C11H17O2P.BrH/c1-10-5-4-6-11(9-10)12-7-2-3-8-13-14;/h4-6,9H,2-3,7-8,14H2,1H3;1H
InChIKeyPSAXLNVKRVYTGT-UHFFFAOYSA-N
MW293.14 g/mol
LogP3.54
Rot. Bonds6

About 4-(3-methylphenoxy)butoxyphosphane;hydrobromide

4-(3-methylphenoxy)butoxyphosphane;hydrobromide (PubChem CID 174049050) has the molecular formula C11H18BrO2P and a molecular weight of 293.14 g/mol. Its IUPAC name is 4-(3-methylphenoxy)butoxyphosphane;hydrobromide.

Molecular Properties

Compound Name4-(3-methylphenoxy)butoxyphosphane;hydrobromide
PubChem CID174049050
Molecular FormulaC11H18BrO2P
Molecular Weight293.14 g/mol
Exact Mass292.02
IUPAC Name4-(3-methylphenoxy)butoxyphosphane;hydrobromide
SMILESBr.Cc1cccc(OCCCCOP)c1
InChIInChI=1S/C11H17O2P.BrH/c1-10-5-4-6-11(9-10)12-7-2-3-8-13-14;/h4-6,9H,2-3,7-8,14H2,1H3;1H
InChIKeyPSAXLNVKRVYTGT-UHFFFAOYSA-N
XLogP3.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.14
LogP ≤ 53.54
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

5-(3-methylphenoxy)pentoxyphosphane
CID 175344008
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene
CID 2304788
1-methyl-3-pentadecoxybenzene
CID 154641822
1-hexadecoxy-3-methylbenzene
CID 154641790
1-methoxy-4-[4-(3-methylphenoxy)butoxy]benzene
CID 2251707
3-[4-(3-methylphenoxy)butoxy]aniline
CID 39109349
1-(3-iodopropoxy)-3-methylbenzene
CID 64788353
1-ethoxy-3-[3-(3-methylphenoxy)propoxy]benzene
CID 2284499
4-(3-methylphenoxy)butanoyl bromide
CID 21330549
methyl-[2-(3-methylphenoxy)ethyl]azanium
CID 7131761
trimethyl-[2-(3-methylphenoxy)ethyl]azanium iodide
CID 160571786

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenoxy)butoxyphosphane;hydrobromide?
The IUPAC name of 4-(3-methylphenoxy)butoxyphosphane;hydrobromide (CID 174049050) is 4-(3-methylphenoxy)butoxyphosphane;hydrobromide.
What is the SMILES notation for 4-(3-methylphenoxy)butoxyphosphane;hydrobromide?
The canonical SMILES for 4-(3-methylphenoxy)butoxyphosphane;hydrobromide is Br.Cc1cccc(OCCCCOP)c1.
What is the InChIKey of 4-(3-methylphenoxy)butoxyphosphane;hydrobromide?
The InChIKey is PSAXLNVKRVYTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17O2P.BrH/c1-10-5-4-6-11(9-10)12-7-2-3-8-13-14;/h4-6,9H,2-3,7-8,14H2,1H3;1H.
What are the key properties of 4-(3-methylphenoxy)butoxyphosphane;hydrobromide?
4-(3-methylphenoxy)butoxyphosphane;hydrobromide has a molecular weight of 293.14 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenoxy)butoxyphosphane;hydrobromide is sourced from PubChem (CID 174049050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).