(2,3-dipropylphenoxy)-(2-propylphenyl)phosphinic acid

C21H29O3P — CID 87674082

IUPAC(2,3-dipropylphenoxy)-(2-propylphenyl)phosphinic acid
SMILESCCCc1ccccc1P(=O)(O)Oc1cccc(CCC)c1CCC
InChIInChI=1S/C21H29O3P/c1-4-10-17-14-9-15-20(19(17)12-6-3)24-25(22,23)21-16-8-7-13-18(21)11-5-2/h7-9,13-16H,4-6,10-12H2,1-3H3,(H,22,23)
InChIKeyKHXJUCKSAUDHSX-UHFFFAOYSA-N
MW360.43 g/mol
LogP5.43
Rot. Bonds9

About (2,3-dipropylphenoxy)-(2-propylphenyl)phosphinic acid

(2,3-dipropylphenoxy)-(2-propylphenyl)phosphinic acid (PubChem CID 87674082) has the molecular formula C21H29O3P and a molecular weight of 360.43 g/mol. Its IUPAC name is (2,3-dipropylphenoxy)-(2-propylphenyl)phosphinic acid.

Molecular Properties

Compound Name(2,3-dipropylphenoxy)-(2-propylphenyl)phosphinic acid
PubChem CID87674082
Molecular FormulaC21H29O3P
Molecular Weight360.43 g/mol
Exact Mass360.19
IUPAC Name(2,3-dipropylphenoxy)-(2-propylphenyl)phosphinic acid
SMILESCCCc1ccccc1P(=O)(O)Oc1cccc(CCC)c1CCC
InChIInChI=1S/C21H29O3P/c1-4-10-17-14-9-15-20(19(17)12-6-3)24-25(22,23)21-16-8-7-13-18(21)11-5-2/h7-9,13-16H,4-6,10-12H2,1-3H3,(H,22,23)
InChIKeyKHXJUCKSAUDHSX-UHFFFAOYSA-N
XLogP5.43
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.43
LogP ≤ 55.43
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

(2,3-dipropylphenyl)-methoxyphosphinic acid
CID 87674891
(2,3-dipropylphenoxy)-(4-oxobutyl)phosphinic acid
CID 87673293
butoxy-(2,3-dipropylphenyl)phosphinic acid
CID 87674111
2-[2-(2,3-dipropylphenoxy)phenyl]acetic acid
CID 21113142
1-bis(2-propylphenoxy)phosphoryl-2,3-dibutylbenzene
CID 87672742
2-[(2,3-dipropylphenoxy)methyl]phenol
CID 67181390
1-phenylperoxy-2,3-dipropylbenzene
CID 56612441
1-butyl-2-[(2-butylphenoxy)-(2-butylphenyl)phosphoryl]oxybenzene
CID 141046812
(2,3-diheptylphenoxy)-dihydroxy-sulfanylidene-λ5-phosphane
CID 141318891
1-bis(2-propylphenoxy)phosphorylpropan-2-one
CID 176899425
1-benzyl-2,3-dipropylbenzene
CID 22920914
[2,3-di(nonyl)phenoxy] dihydrogen phosphate
CID 88692553

Frequently Asked Questions

What is the IUPAC name of (2,3-dipropylphenoxy)-(2-propylphenyl)phosphinic acid?
The IUPAC name of (2,3-dipropylphenoxy)-(2-propylphenyl)phosphinic acid (CID 87674082) is (2,3-dipropylphenoxy)-(2-propylphenyl)phosphinic acid.
What is the SMILES notation for (2,3-dipropylphenoxy)-(2-propylphenyl)phosphinic acid?
The canonical SMILES for (2,3-dipropylphenoxy)-(2-propylphenyl)phosphinic acid is CCCc1ccccc1P(=O)(O)Oc1cccc(CCC)c1CCC.
What is the InChIKey of (2,3-dipropylphenoxy)-(2-propylphenyl)phosphinic acid?
The InChIKey is KHXJUCKSAUDHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29O3P/c1-4-10-17-14-9-15-20(19(17)12-6-3)24-25(22,23)21-16-8-7-13-18(21)11-5-2/h7-9,13-16H,4-6,10-12H2,1-3H3,(H,22,23).
What are the key properties of (2,3-dipropylphenoxy)-(2-propylphenyl)phosphinic acid?
(2,3-dipropylphenoxy)-(2-propylphenyl)phosphinic acid has a molecular weight of 360.43 g/mol, XLogP of 5.43, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dipropylphenoxy)-(2-propylphenyl)phosphinic acid is sourced from PubChem (CID 87674082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).