butoxy-bis(2-methylphenyl)phosphane

C18H23OP — CID 175546633

IUPACbutoxy-bis(2-methylphenyl)phosphane
SMILESCCCCOP(c1ccccc1C)c1ccccc1C
InChIInChI=1S/C18H23OP/c1-4-5-14-19-20(17-12-8-6-10-15(17)2)18-13-9-7-11-16(18)3/h6-13H,4-5,14H2,1-3H3
InChIKeyYQBLDVFEYPFZRZ-UHFFFAOYSA-N
MW286.36 g/mol
LogP4.47
Rot. Bonds6

About butoxy-bis(2-methylphenyl)phosphane

butoxy-bis(2-methylphenyl)phosphane (PubChem CID 175546633) has the molecular formula C18H23OP and a molecular weight of 286.36 g/mol. Its IUPAC name is butoxy-bis(2-methylphenyl)phosphane.

Molecular Properties

Compound Namebutoxy-bis(2-methylphenyl)phosphane
PubChem CID175546633
Molecular FormulaC18H23OP
Molecular Weight286.36 g/mol
Exact Mass286.15
IUPAC Namebutoxy-bis(2-methylphenyl)phosphane
SMILESCCCCOP(c1ccccc1C)c1ccccc1C
InChIInChI=1S/C18H23OP/c1-4-5-14-19-20(17-12-8-6-10-15(17)2)18-13-9-7-11-16(18)3/h6-13H,4-5,14H2,1-3H3
InChIKeyYQBLDVFEYPFZRZ-UHFFFAOYSA-N
XLogP4.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 54.47
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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Frequently Asked Questions

What is the IUPAC name of butoxy-bis(2-methylphenyl)phosphane?
The IUPAC name of butoxy-bis(2-methylphenyl)phosphane (CID 175546633) is butoxy-bis(2-methylphenyl)phosphane.
What is the SMILES notation for butoxy-bis(2-methylphenyl)phosphane?
The canonical SMILES for butoxy-bis(2-methylphenyl)phosphane is CCCCOP(c1ccccc1C)c1ccccc1C.
What is the InChIKey of butoxy-bis(2-methylphenyl)phosphane?
The InChIKey is YQBLDVFEYPFZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23OP/c1-4-5-14-19-20(17-12-8-6-10-15(17)2)18-13-9-7-11-16(18)3/h6-13H,4-5,14H2,1-3H3.
What are the key properties of butoxy-bis(2-methylphenyl)phosphane?
butoxy-bis(2-methylphenyl)phosphane has a molecular weight of 286.36 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy-bis(2-methylphenyl)phosphane is sourced from PubChem (CID 175546633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).