3-phenylpentan-3-yloxyphosphinous acid

C11H17O2P — CID 67708350

IUPAC3-phenylpentan-3-yloxyphosphinous acid
SMILESCCC(CC)(OPO)c1ccccc1
InChIInChI=1S/C11H17O2P/c1-3-11(4-2,13-14-12)10-8-6-5-7-9-10/h5-9,12,14H,3-4H2,1-2H3
InChIKeyBPPZWRMVDWTAHK-UHFFFAOYSA-N
MW212.23 g/mol
LogP3.22
Rot. Bonds5

About 3-phenylpentan-3-yloxyphosphinous acid

3-phenylpentan-3-yloxyphosphinous acid (PubChem CID 67708350) has the molecular formula C11H17O2P and a molecular weight of 212.23 g/mol. Its IUPAC name is 3-phenylpentan-3-yloxyphosphinous acid.

Molecular Properties

Compound Name3-phenylpentan-3-yloxyphosphinous acid
PubChem CID67708350
Molecular FormulaC11H17O2P
Molecular Weight212.23 g/mol
Exact Mass212.10
IUPAC Name3-phenylpentan-3-yloxyphosphinous acid
SMILESCCC(CC)(OPO)c1ccccc1
InChIInChI=1S/C11H17O2P/c1-3-11(4-2,13-14-12)10-8-6-5-7-9-10/h5-9,12,14H,3-4H2,1-2H3
InChIKeyBPPZWRMVDWTAHK-UHFFFAOYSA-N
XLogP3.22
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-phenylpentan-3-yl prop-2-enoate
CID 22709184
CID 19392003
CID 19392003
tetrakis(1,2-diphenylbutan-2-yl) silicate
CID 139708431
3-phenylpentan-3-yl 2-tert-butyl-2,4,4-trimethylpentanoate
CID 155129067
2-hydroperoxybutan-2-ylbenzene
CID 15510207
2-chlorobutan-2-ylbenzene;ethane
CID 123404536
N'-(2-methoxy-2-phenylbutyl)oxamide
CID 90599769
4-(4-phenylpentadecan-4-yloxy)pentadecan-4-ylbenzene
CID 175374768
2-[2-[2-[2-(2-phenylbutan-2-ylperoxy)butan-2-ylperoxy]butan-2-ylperoxy]butan-2-ylperoxy]butan-2-ylbenzene
CID 171749550
1-amino-3-phenylpentan-3-ol
CID 79006155
ethoxyethane;triphenylmethanol
CID 70428584
CID 19591298
CID 19591298

Frequently Asked Questions

What is the IUPAC name of 3-phenylpentan-3-yloxyphosphinous acid?
The IUPAC name of 3-phenylpentan-3-yloxyphosphinous acid (CID 67708350) is 3-phenylpentan-3-yloxyphosphinous acid.
What is the SMILES notation for 3-phenylpentan-3-yloxyphosphinous acid?
The canonical SMILES for 3-phenylpentan-3-yloxyphosphinous acid is CCC(CC)(OPO)c1ccccc1.
What is the InChIKey of 3-phenylpentan-3-yloxyphosphinous acid?
The InChIKey is BPPZWRMVDWTAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17O2P/c1-3-11(4-2,13-14-12)10-8-6-5-7-9-10/h5-9,12,14H,3-4H2,1-2H3.
What are the key properties of 3-phenylpentan-3-yloxyphosphinous acid?
3-phenylpentan-3-yloxyphosphinous acid has a molecular weight of 212.23 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylpentan-3-yloxyphosphinous acid is sourced from PubChem (CID 67708350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).