bis(2-butylphenyl)methylphosphane

C21H29P — CID 90110024

IUPACbis(2-butylphenyl)methylphosphane
SMILESCCCCc1ccccc1C(P)c1ccccc1CCCC
InChIInChI=1S/C21H29P/c1-3-5-11-17-13-7-9-15-19(17)21(22)20-16-10-8-14-18(20)12-6-4-2/h7-10,13-16,21H,3-6,11-12,22H2,1-2H3
InChIKeyNEEWCQQKAIXRBE-UHFFFAOYSA-N
MW312.44 g/mol
LogP6.34
Rot. Bonds8

About bis(2-butylphenyl)methylphosphane

bis(2-butylphenyl)methylphosphane (PubChem CID 90110024) has the molecular formula C21H29P and a molecular weight of 312.44 g/mol. Its IUPAC name is bis(2-butylphenyl)methylphosphane.

Molecular Properties

Compound Namebis(2-butylphenyl)methylphosphane
PubChem CID90110024
Molecular FormulaC21H29P
Molecular Weight312.44 g/mol
Exact Mass312.20
IUPAC Namebis(2-butylphenyl)methylphosphane
SMILESCCCCc1ccccc1C(P)c1ccccc1CCCC
InChIInChI=1S/C21H29P/c1-3-5-11-17-13-7-9-15-19(17)21(22)20-16-10-8-14-18(20)12-6-4-2/h7-10,13-16,21H,3-6,11-12,22H2,1-2H3
InChIKeyNEEWCQQKAIXRBE-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-2-[1-(2-butylphenyl)ethyl]benzene
CID 19828902
1-butan-2-yl-2-butylbenzene;ethane;propane
CID 144927563
CID 159940559
CID 159940559
1-(difluoromethyl)-2-pentylbenzene
CID 162568517
1-butyl-2-[1-[1-(2-butylphenyl)butoxy]butyl]benzene
CID 139328587
1-pentadecyl-2-propan-2-ylbenzene;sulfane
CID 174904763
1-methyl-2-pentylbenzene
CID 524553
1-butyl-2-methylbenzene;ethane;propane
CID 142102479
CID 66774119
CID 66774119
potassium bis(2-butylphenyl)methanesulfonate
CID 139619690
2-butylbenzenethiol;trihydrofluoride
CID 173024842
1-(2-hexadecylphenyl)heptadecan-1-amine
CID 70401648

Frequently Asked Questions

What is the IUPAC name of bis(2-butylphenyl)methylphosphane?
The IUPAC name of bis(2-butylphenyl)methylphosphane (CID 90110024) is bis(2-butylphenyl)methylphosphane.
What is the SMILES notation for bis(2-butylphenyl)methylphosphane?
The canonical SMILES for bis(2-butylphenyl)methylphosphane is CCCCc1ccccc1C(P)c1ccccc1CCCC.
What is the InChIKey of bis(2-butylphenyl)methylphosphane?
The InChIKey is NEEWCQQKAIXRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29P/c1-3-5-11-17-13-7-9-15-19(17)21(22)20-16-10-8-14-18(20)12-6-4-2/h7-10,13-16,21H,3-6,11-12,22H2,1-2H3.
What are the key properties of bis(2-butylphenyl)methylphosphane?
bis(2-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(2-butylphenyl)methylphosphane is sourced from PubChem (CID 90110024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).