(2,3-dipropylphenyl)-methoxyphosphinic acid

C13H21O3P — CID 87674891

IUPAC(2,3-dipropylphenyl)-methoxyphosphinic acid
SMILESCCCc1cccc(P(=O)(O)OC)c1CCC
InChIInChI=1S/C13H21O3P/c1-4-7-11-9-6-10-13(12(11)8-5-2)17(14,15)16-3/h6,9-10H,4-5,7-8H2,1-3H3,(H,14,15)
InChIKeyKBCNGKLYPUSGOQ-UHFFFAOYSA-N
MW256.28 g/mol
LogP3.05
Rot. Bonds6

About (2,3-dipropylphenyl)-methoxyphosphinic acid

(2,3-dipropylphenyl)-methoxyphosphinic acid (PubChem CID 87674891) has the molecular formula C13H21O3P and a molecular weight of 256.28 g/mol. Its IUPAC name is (2,3-dipropylphenyl)-methoxyphosphinic acid.

Molecular Properties

Compound Name(2,3-dipropylphenyl)-methoxyphosphinic acid
PubChem CID87674891
Molecular FormulaC13H21O3P
Molecular Weight256.28 g/mol
Exact Mass256.12
IUPAC Name(2,3-dipropylphenyl)-methoxyphosphinic acid
SMILESCCCc1cccc(P(=O)(O)OC)c1CCC
InChIInChI=1S/C13H21O3P/c1-4-7-11-9-6-10-13(12(11)8-5-2)17(14,15)16-3/h6,9-10H,4-5,7-8H2,1-3H3,(H,14,15)
InChIKeyKBCNGKLYPUSGOQ-UHFFFAOYSA-N
XLogP3.05
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 53.05
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

butoxy-(2,3-dipropylphenyl)phosphinic acid
CID 87674111
(2,3-dipropylphenoxy)-(2-propylphenyl)phosphinic acid
CID 87674082
1-bis(2-propylphenoxy)phosphoryl-2,3-dibutylbenzene
CID 87672742
phosphoric acid;3-propylbenzene-1,2-diol
CID 174603816
1,2-dibutyl-3-dipropoxyphosphorylbenzene
CID 87672568
(2,3-dipropylphenoxy)-(4-oxobutyl)phosphinic acid
CID 87673293
[2-(hydroxymethyl)-3-propylphenyl]methanol
CID 118644202
2-[2-(2,3-dipropylphenoxy)phenyl]acetic acid
CID 21113142
(2-heptadecylphenyl)phosphonic acid
CID 23434842
CID 66773183
CID 66773183
CID 160937062
CID 160937062
CID 160803924
CID 160803924

Frequently Asked Questions

What is the IUPAC name of (2,3-dipropylphenyl)-methoxyphosphinic acid?
The IUPAC name of (2,3-dipropylphenyl)-methoxyphosphinic acid (CID 87674891) is (2,3-dipropylphenyl)-methoxyphosphinic acid.
What is the SMILES notation for (2,3-dipropylphenyl)-methoxyphosphinic acid?
The canonical SMILES for (2,3-dipropylphenyl)-methoxyphosphinic acid is CCCc1cccc(P(=O)(O)OC)c1CCC.
What is the InChIKey of (2,3-dipropylphenyl)-methoxyphosphinic acid?
The InChIKey is KBCNGKLYPUSGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21O3P/c1-4-7-11-9-6-10-13(12(11)8-5-2)17(14,15)16-3/h6,9-10H,4-5,7-8H2,1-3H3,(H,14,15).
What are the key properties of (2,3-dipropylphenyl)-methoxyphosphinic acid?
(2,3-dipropylphenyl)-methoxyphosphinic acid has a molecular weight of 256.28 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dipropylphenyl)-methoxyphosphinic acid is sourced from PubChem (CID 87674891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).