3-methylbutoxy(diphenyl)phosphane;3-methylbutyl(diphenyl)phosphane

C34H42OP2 — CID 175546596

IUPAC3-methylbutoxy(diphenyl)phosphane;3-methylbutyl(diphenyl)phosphane
SMILESCC(C)CCOP(c1ccccc1)c1ccccc1.CC(C)CCP(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H21OP.C17H21P/c1-15(2)13-14-18-19(16-9-5-3-6-10-16)17-11-7-4-8-12-17;1-15(2)13-14-18(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3;3-12,15H,13-14H2,1-2H3
InChIKeyPVMAWXFLNRDWTQ-UHFFFAOYSA-N
MW528.66 g/mol
LogP8.26
Rot. Bonds11

About 3-methylbutoxy(diphenyl)phosphane;3-methylbutyl(diphenyl)phosphane

3-methylbutoxy(diphenyl)phosphane;3-methylbutyl(diphenyl)phosphane (PubChem CID 175546596) has the molecular formula C34H42OP2 and a molecular weight of 528.66 g/mol. Its IUPAC name is 3-methylbutoxy(diphenyl)phosphane;3-methylbutyl(diphenyl)phosphane.

Molecular Properties

Compound Name3-methylbutoxy(diphenyl)phosphane;3-methylbutyl(diphenyl)phosphane
PubChem CID175546596
Molecular FormulaC34H42OP2
Molecular Weight528.66 g/mol
Exact Mass528.27
IUPAC Name3-methylbutoxy(diphenyl)phosphane;3-methylbutyl(diphenyl)phosphane
SMILESCC(C)CCOP(c1ccccc1)c1ccccc1.CC(C)CCP(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H21OP.C17H21P/c1-15(2)13-14-18-19(16-9-5-3-6-10-16)17-11-7-4-8-12-17;1-15(2)13-14-18(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3;3-12,15H,13-14H2,1-2H3
InChIKeyPVMAWXFLNRDWTQ-UHFFFAOYSA-N
XLogP8.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.66
LogP ≤ 58.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-methylbutoxy(diphenyl)phosphane;3-methylbutyl(diphenyl)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

2-diphenylphosphanyloxyethoxy(diphenyl)phosphane
CID 10950051
4-methylpentyl-(4-methylphenyl)-phenylphosphane
CID 56983506
1,3-bis(diphenylphosphanyl)propyl-diphenylphosphane
CID 140514716
copper;2-diphenylphosphanylethyl(diphenyl)phosphane
CID 172691884
[(2S)-2-methoxypropyl]-diphenylphosphane
CID 10658854
2-methoxypropyl(diphenyl)phosphane
CID 23413688
CID 13086823
CID 13086823
1,3-bis(diphenylphosphanyl)propyl acetate;palladium
CID 87696475
5-diphenylphosphanyloxy-N,N-dimethylpent-2-yn-1-amine
CID 11426922
3-cyclohexylbutyl(diphenyl)phosphane
CID 53471136
bis(2-diphenylphosphanylethyl(diphenyl)phosphane);gold(1+);bromide
CID 173374421
3-diphenylphosphanylpropyl acetate
CID 57133096

Frequently Asked Questions

What is the IUPAC name of 3-methylbutoxy(diphenyl)phosphane;3-methylbutyl(diphenyl)phosphane?
The IUPAC name of 3-methylbutoxy(diphenyl)phosphane;3-methylbutyl(diphenyl)phosphane (CID 175546596) is 3-methylbutoxy(diphenyl)phosphane;3-methylbutyl(diphenyl)phosphane.
What is the SMILES notation for 3-methylbutoxy(diphenyl)phosphane;3-methylbutyl(diphenyl)phosphane?
The canonical SMILES for 3-methylbutoxy(diphenyl)phosphane;3-methylbutyl(diphenyl)phosphane is CC(C)CCOP(c1ccccc1)c1ccccc1.CC(C)CCP(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-methylbutoxy(diphenyl)phosphane;3-methylbutyl(diphenyl)phosphane?
The InChIKey is PVMAWXFLNRDWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21OP.C17H21P/c1-15(2)13-14-18-19(16-9-5-3-6-10-16)17-11-7-4-8-12-17;1-15(2)13-14-18(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3;3-12,15H,13-14H2,1-2H3.
What are the key properties of 3-methylbutoxy(diphenyl)phosphane;3-methylbutyl(diphenyl)phosphane?
3-methylbutoxy(diphenyl)phosphane;3-methylbutyl(diphenyl)phosphane has a molecular weight of 528.66 g/mol, XLogP of 8.26, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutoxy(diphenyl)phosphane;3-methylbutyl(diphenyl)phosphane is sourced from PubChem (CID 175546596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).