2-methylbutyl-[4-[2-[4-(2-methylbutyl)phenyl]propan-2-yl]phenoxy]phosphane

C25H37OP — CID 90923665

IUPAC2-methylbutyl-[4-[2-[4-(2-methylbutyl)phenyl]propan-2-yl]phenoxy]phosphane
SMILESCCC(C)CPOc1ccc(C(C)(C)c2ccc(CC(C)CC)cc2)cc1
InChIInChI=1S/C25H37OP/c1-7-19(3)17-21-9-11-22(12-10-21)25(5,6)23-13-15-24(16-14-23)26-27-18-20(4)8-2/h9-16,19-20,27H,7-8,17-18H2,1-6H3
InChIKeyHZGUBSCZPMDNPX-UHFFFAOYSA-N
MW384.54 g/mol
LogP7.62
Rot. Bonds10

About 2-methylbutyl-[4-[2-[4-(2-methylbutyl)phenyl]propan-2-yl]phenoxy]phosphane

2-methylbutyl-[4-[2-[4-(2-methylbutyl)phenyl]propan-2-yl]phenoxy]phosphane (PubChem CID 90923665) has the molecular formula C25H37OP and a molecular weight of 384.54 g/mol. Its IUPAC name is 2-methylbutyl-[4-[2-[4-(2-methylbutyl)phenyl]propan-2-yl]phenoxy]phosphane.

Molecular Properties

Compound Name2-methylbutyl-[4-[2-[4-(2-methylbutyl)phenyl]propan-2-yl]phenoxy]phosphane
PubChem CID90923665
Molecular FormulaC25H37OP
Molecular Weight384.54 g/mol
Exact Mass384.26
IUPAC Name2-methylbutyl-[4-[2-[4-(2-methylbutyl)phenyl]propan-2-yl]phenoxy]phosphane
SMILESCCC(C)CPOc1ccc(C(C)(C)c2ccc(CC(C)CC)cc2)cc1
InChIInChI=1S/C25H37OP/c1-7-19(3)17-21-9-11-22(12-10-21)25(5,6)23-13-15-24(16-14-23)26-27-18-20(4)8-2/h9-16,19-20,27H,7-8,17-18H2,1-6H3
InChIKeyHZGUBSCZPMDNPX-UHFFFAOYSA-N
XLogP7.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.54
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-methylbutyl-[4-[2-[4-(2-methylbutyl)phenyl]propan-2-yl]phenoxy]phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-tert-butyl-4-(2-methylbutyl)benzene;ethane
CID 156874515
1,4-bis(2-methylbutyl)benzene;ethane
CID 145016411
ethane;formaldehyde;1-methoxy-4-[(2S)-2-methylbutyl]benzene
CID 171097729
1-[(2R)-2-methylbutyl]-4-(2-methylpropoxy)benzene
CID 144625021
(4-methoxyphenyl)-[4-(2-methylbutyl)phenyl]diazene
CID 101070141
1-methyl-4-[4-[4-(2-methylbutyl)phenyl]phenoxy]benzene
CID 20641212
1-methyl-4-[(2R)-2-methylbutyl]benzene
CID 59123946
1-[(2S)-2-chlorobutoxy]-4-[2-[4-[(2S)-2-methylbutoxy]phenyl]propan-2-yl]benzene;1-[(2R)-2-chlorobutoxy]-4-[2-[4-[(2S)-2-methylbutoxy]phenyl]propan-2-yl]benzene;1-[(2S)-2-chlorobutoxy]-4-[2-[4-[(2R)-2-methylbutoxy]phenyl]propan-2-yl]benzene;1-[(2R)-2-chlorobutoxy]-4-[2-[4-[(2R)-2-methylbutoxy]phenyl]propan-2-yl]benzene;1-(2-chlorobutoxy)-4-[2-[4-(2-methylbutoxy)phenyl]propan-2-yl]benzene
CID 161390533
[4-(2-methylbutyl)phenyl]boronic acid
CID 18754957
[4-[4-(2-methylbutyl)phenoxy]carbonylphenyl] 4-hydroxybenzoate
CID 143049995
formaldehyde;1-methyl-4-(2-methylbutyl)benzene
CID 143236225
1-butyl-4-[2-[4-[2-(4-ethoxyphenyl)propan-2-yl]phenyl]propan-2-yl]benzene
CID 170603027

Frequently Asked Questions

What is the IUPAC name of 2-methylbutyl-[4-[2-[4-(2-methylbutyl)phenyl]propan-2-yl]phenoxy]phosphane?
The IUPAC name of 2-methylbutyl-[4-[2-[4-(2-methylbutyl)phenyl]propan-2-yl]phenoxy]phosphane (CID 90923665) is 2-methylbutyl-[4-[2-[4-(2-methylbutyl)phenyl]propan-2-yl]phenoxy]phosphane.
What is the SMILES notation for 2-methylbutyl-[4-[2-[4-(2-methylbutyl)phenyl]propan-2-yl]phenoxy]phosphane?
The canonical SMILES for 2-methylbutyl-[4-[2-[4-(2-methylbutyl)phenyl]propan-2-yl]phenoxy]phosphane is CCC(C)CPOc1ccc(C(C)(C)c2ccc(CC(C)CC)cc2)cc1.
What is the InChIKey of 2-methylbutyl-[4-[2-[4-(2-methylbutyl)phenyl]propan-2-yl]phenoxy]phosphane?
The InChIKey is HZGUBSCZPMDNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37OP/c1-7-19(3)17-21-9-11-22(12-10-21)25(5,6)23-13-15-24(16-14-23)26-27-18-20(4)8-2/h9-16,19-20,27H,7-8,17-18H2,1-6H3.
What are the key properties of 2-methylbutyl-[4-[2-[4-(2-methylbutyl)phenyl]propan-2-yl]phenoxy]phosphane?
2-methylbutyl-[4-[2-[4-(2-methylbutyl)phenyl]propan-2-yl]phenoxy]phosphane has a molecular weight of 384.54 g/mol, XLogP of 7.62, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutyl-[4-[2-[4-(2-methylbutyl)phenyl]propan-2-yl]phenoxy]phosphane is sourced from PubChem (CID 90923665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).