2-dipropylphosphanylnaphthalene-1,4-diol

C16H21O2P — CID 141045997

IUPAC2-dipropylphosphanylnaphthalene-1,4-diol
SMILESCCCP(CCC)c1cc(O)c2ccccc2c1O
InChIInChI=1S/C16H21O2P/c1-3-9-19(10-4-2)15-11-14(17)12-7-5-6-8-13(12)16(15)18/h5-8,11,17-18H,3-4,9-10H2,1-2H3
InChIKeyPNXNUILKDSULIJ-UHFFFAOYSA-N
MW276.32 g/mol
LogP4.18
Rot. Bonds5

About 2-dipropylphosphanylnaphthalene-1,4-diol

2-dipropylphosphanylnaphthalene-1,4-diol (PubChem CID 141045997) has the molecular formula C16H21O2P and a molecular weight of 276.32 g/mol. Its IUPAC name is 2-dipropylphosphanylnaphthalene-1,4-diol.

Molecular Properties

Compound Name2-dipropylphosphanylnaphthalene-1,4-diol
PubChem CID141045997
Molecular FormulaC16H21O2P
Molecular Weight276.32 g/mol
Exact Mass276.13
IUPAC Name2-dipropylphosphanylnaphthalene-1,4-diol
SMILESCCCP(CCC)c1cc(O)c2ccccc2c1O
InChIInChI=1S/C16H21O2P/c1-3-9-19(10-4-2)15-11-14(17)12-7-5-6-8-13(12)16(15)18/h5-8,11,17-18H,3-4,9-10H2,1-2H3
InChIKeyPNXNUILKDSULIJ-UHFFFAOYSA-N
XLogP4.18
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-dimethylphosphanylnaphthalene-1,4-diol
CID 141045981
2-ethylnaphthalene-1,4-diol
CID 13077288
tris(diethylamino)-(1,4-dihydroxynaphthalen-2-yl)phosphanium
CID 3640954
2-(propylideneamino)naphthalene-1,4-diol
CID 123930537
(1,4-dihydroxynaphthalen-2-yl)-triphenylphosphanium
CID 2783475
2-dipropylphosphanyl-N-(2-dipropylphosphanylphenyl)-N-methylaniline
CID 87444995
3,4-dihexoxynaphthalen-1-ol
CID 19873008
ethane;naphthalene-1,5-diol;propane
CID 161367010
acetic acid;2-methylnaphthalene-1,4-diol
CID 57358360
2-ethyl-4-propylnaphthalen-1-ol
CID 19868304
butane;naphthalen-1-ol
CID 142905950
1,4-dihydroxy-N-octylnaphthalene-2-carboxamide
CID 139806223

Frequently Asked Questions

What is the IUPAC name of 2-dipropylphosphanylnaphthalene-1,4-diol?
The IUPAC name of 2-dipropylphosphanylnaphthalene-1,4-diol (CID 141045997) is 2-dipropylphosphanylnaphthalene-1,4-diol.
What is the SMILES notation for 2-dipropylphosphanylnaphthalene-1,4-diol?
The canonical SMILES for 2-dipropylphosphanylnaphthalene-1,4-diol is CCCP(CCC)c1cc(O)c2ccccc2c1O.
What is the InChIKey of 2-dipropylphosphanylnaphthalene-1,4-diol?
The InChIKey is PNXNUILKDSULIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21O2P/c1-3-9-19(10-4-2)15-11-14(17)12-7-5-6-8-13(12)16(15)18/h5-8,11,17-18H,3-4,9-10H2,1-2H3.
What are the key properties of 2-dipropylphosphanylnaphthalene-1,4-diol?
2-dipropylphosphanylnaphthalene-1,4-diol has a molecular weight of 276.32 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dipropylphosphanylnaphthalene-1,4-diol is sourced from PubChem (CID 141045997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).