dimethyl(4-phenoxybutyl)phosphane

C12H19OP — CID 168765216

IUPACdimethyl(4-phenoxybutyl)phosphane
SMILESCP(C)CCCCOc1ccccc1
InChIInChI=1S/C12H19OP/c1-14(2)11-7-6-10-13-12-8-4-3-5-9-12/h3-5,8-9H,6-7,10-11H2,1-2H3
InChIKeyWJJVVQPBFCHOBM-UHFFFAOYSA-N
MW210.26 g/mol
LogP3.59
Rot. Bonds6

About dimethyl(4-phenoxybutyl)phosphane

dimethyl(4-phenoxybutyl)phosphane (PubChem CID 168765216) has the molecular formula C12H19OP and a molecular weight of 210.26 g/mol. Its IUPAC name is dimethyl(4-phenoxybutyl)phosphane.

Molecular Properties

Compound Namedimethyl(4-phenoxybutyl)phosphane
PubChem CID168765216
Molecular FormulaC12H19OP
Molecular Weight210.26 g/mol
Exact Mass210.12
IUPAC Namedimethyl(4-phenoxybutyl)phosphane
SMILESCP(C)CCCCOc1ccccc1
InChIInChI=1S/C12H19OP/c1-14(2)11-7-6-10-13-12-8-4-3-5-9-12/h3-5,8-9H,6-7,10-11H2,1-2H3
InChIKeyWJJVVQPBFCHOBM-UHFFFAOYSA-N
XLogP3.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 53.59
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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Related Compounds

4-(4-phenoxybutoxy)butoxybenzene
CID 22399981
pentoxybenzene;undecane
CID 174778179
ethene;nonoxybenzene;sulfane
CID 174919596
7-phenoxyheptan-1-ol
CID 15856264
triethyl(12-phenoxydodecyl)azanium bromide
CID 42631033
dodecoxybenzene;ethene;hydrate
CID 174804981
6-phenoxyhexyl(triphenyl)phosphanium
CID 71515133
1-methoxy-2-(4-phenoxybutoxy)benzene
CID 2252132
2-phenoxyethylmercury
CID 163598363
3-phenoxypropane-1-thiol
CID 18792707
CID 161224902
CID 161224902
azane;propoxybenzene
CID 66667480

Frequently Asked Questions

What is the IUPAC name of dimethyl(4-phenoxybutyl)phosphane?
The IUPAC name of dimethyl(4-phenoxybutyl)phosphane (CID 168765216) is dimethyl(4-phenoxybutyl)phosphane.
What is the SMILES notation for dimethyl(4-phenoxybutyl)phosphane?
The canonical SMILES for dimethyl(4-phenoxybutyl)phosphane is CP(C)CCCCOc1ccccc1.
What is the InChIKey of dimethyl(4-phenoxybutyl)phosphane?
The InChIKey is WJJVVQPBFCHOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19OP/c1-14(2)11-7-6-10-13-12-8-4-3-5-9-12/h3-5,8-9H,6-7,10-11H2,1-2H3.
What are the key properties of dimethyl(4-phenoxybutyl)phosphane?
dimethyl(4-phenoxybutyl)phosphane has a molecular weight of 210.26 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(4-phenoxybutyl)phosphane is sourced from PubChem (CID 168765216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).