heptoxy(phenyl)phosphinous acid

C13H21O2P — CID 12959801

IUPACheptoxy(phenyl)phosphinous acid
SMILESCCCCCCCOP(O)c1ccccc1
InChIInChI=1S/C13H21O2P/c1-2-3-4-5-9-12-15-16(14)13-10-7-6-8-11-13/h6-8,10-11,14H,2-5,9,12H2,1H3
InChIKeyXXPVNHWJKQQGMI-UHFFFAOYSA-N
MW240.28 g/mol
LogP3.60
Rot. Bonds8

About heptoxy(phenyl)phosphinous acid

heptoxy(phenyl)phosphinous acid (PubChem CID 12959801) has the molecular formula C13H21O2P and a molecular weight of 240.28 g/mol. Its IUPAC name is heptoxy(phenyl)phosphinous acid.

Molecular Properties

Compound Nameheptoxy(phenyl)phosphinous acid
PubChem CID12959801
Molecular FormulaC13H21O2P
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Nameheptoxy(phenyl)phosphinous acid
SMILESCCCCCCCOP(O)c1ccccc1
InChIInChI=1S/C13H21O2P/c1-2-3-4-5-9-12-15-16(14)13-10-7-6-8-11-13/h6-8,10-11,14H,2-5,9,12H2,1H3
InChIKeyXXPVNHWJKQQGMI-UHFFFAOYSA-N
XLogP3.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

ethoxy-hexoxy-phenylphosphane
CID 154163043
ethane;ethoxy(phenyl)phosphinous acid
CID 145394359
benzyl hexyl hydrogen phosphite
CID 174676176
1,1'-biphenyl;ethyl hexyl hydrogen phosphite
CID 67071902
benzyl dodecyl hydrogen phosphite
CID 161198417
hexadecyl(phenyl)phosphinous acid
CID 22292084
didodecoxy(phenylsulfanyl)phosphane
CID 169021421
didecyl hydrogen phosphite
CID 14151265
butoxy-ethoxy-phenylphosphane;ethane
CID 142525942
pentoxybenzene;undecane
CID 174778179
2-amino-2-(hydroxymethyl)propane-1,3-diol;nonyl dihydrogen phosphite;phenol
CID 67709823
diphenyl 11-undecoxyundecyl phosphite
CID 101311931

Frequently Asked Questions

What is the IUPAC name of heptoxy(phenyl)phosphinous acid?
The IUPAC name of heptoxy(phenyl)phosphinous acid (CID 12959801) is heptoxy(phenyl)phosphinous acid.
What is the SMILES notation for heptoxy(phenyl)phosphinous acid?
The canonical SMILES for heptoxy(phenyl)phosphinous acid is CCCCCCCOP(O)c1ccccc1.
What is the InChIKey of heptoxy(phenyl)phosphinous acid?
The InChIKey is XXPVNHWJKQQGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21O2P/c1-2-3-4-5-9-12-15-16(14)13-10-7-6-8-11-13/h6-8,10-11,14H,2-5,9,12H2,1H3.
What are the key properties of heptoxy(phenyl)phosphinous acid?
heptoxy(phenyl)phosphinous acid has a molecular weight of 240.28 g/mol, XLogP of 3.60, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for heptoxy(phenyl)phosphinous acid is sourced from PubChem (CID 12959801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).