bis(4-butylphenyl)methylphosphane

C21H29P — CID 90110025

IUPACbis(4-butylphenyl)methylphosphane
SMILESCCCCc1ccc(C(P)c2ccc(CCCC)cc2)cc1
InChIInChI=1S/C21H29P/c1-3-5-7-17-9-13-19(14-10-17)21(22)20-15-11-18(12-16-20)8-6-4-2/h9-16,21H,3-8,22H2,1-2H3
InChIKeyXSDMONYCIKHKFF-UHFFFAOYSA-N
MW312.44 g/mol
LogP6.34
Rot. Bonds8

About bis(4-butylphenyl)methylphosphane

bis(4-butylphenyl)methylphosphane (PubChem CID 90110025) has the molecular formula C21H29P and a molecular weight of 312.44 g/mol. Its IUPAC name is bis(4-butylphenyl)methylphosphane.

Molecular Properties

Compound Namebis(4-butylphenyl)methylphosphane
PubChem CID90110025
Molecular FormulaC21H29P
Molecular Weight312.44 g/mol
Exact Mass312.20
IUPAC Namebis(4-butylphenyl)methylphosphane
SMILESCCCCc1ccc(C(P)c2ccc(CCCC)cc2)cc1
InChIInChI=1S/C21H29P/c1-3-5-7-17-9-13-19(14-10-17)21(22)20-15-11-18(12-16-20)8-6-4-2/h9-16,21H,3-8,22H2,1-2H3
InChIKeyXSDMONYCIKHKFF-UHFFFAOYSA-N
XLogP6.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.44
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-4-propan-2-ylbenzene;hexane
CID 142937575
1-butyl-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;methane
CID 176687578
1-butyl-4-(1-methoxypropyl)benzene
CID 123986440
1-butyl-4-(1-methoxyethyl)benzene
CID 143934734
4-butylbenzenethiol;4-propan-2-ylbenzenethiol
CID 162129320
1-[bromo-(4-butylphenyl)methyl]-4-propylbenzene
CID 139632496
1-(1-bromoheptyl)-4-butylbenzene
CID 114753581
1,4-bis[(4-butylphenyl)methyl]benzene
CID 58021495
1-butyl-4-[(4-butylphenyl)methyl]benzene
CID 57156341
1-butyl-4-nonylbenzene
CID 59545302
1-(4-butylphenyl)butan-1-ol
CID 61088483
1-(1-bromo-4-methylpentyl)-4-butylbenzene
CID 55199914

Frequently Asked Questions

What is the IUPAC name of bis(4-butylphenyl)methylphosphane?
The IUPAC name of bis(4-butylphenyl)methylphosphane (CID 90110025) is bis(4-butylphenyl)methylphosphane.
What is the SMILES notation for bis(4-butylphenyl)methylphosphane?
The canonical SMILES for bis(4-butylphenyl)methylphosphane is CCCCc1ccc(C(P)c2ccc(CCCC)cc2)cc1.
What is the InChIKey of bis(4-butylphenyl)methylphosphane?
The InChIKey is XSDMONYCIKHKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29P/c1-3-5-7-17-9-13-19(14-10-17)21(22)20-15-11-18(12-16-20)8-6-4-2/h9-16,21H,3-8,22H2,1-2H3.
What are the key properties of bis(4-butylphenyl)methylphosphane?
bis(4-butylphenyl)methylphosphane has a molecular weight of 312.44 g/mol, XLogP of 6.34, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-butylphenyl)methylphosphane is sourced from PubChem (CID 90110025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).