bis(2-methylpropoxy)phosphoryl-pyridin-4-ylmethanol

C14H24NO4P — CID 18859992

IUPACbis(2-methylpropoxy)phosphoryl-pyridin-4-ylmethanol
SMILESCC(C)COP(=O)(OCC(C)C)C(O)c1ccncc1
InChIInChI=1S/C14H24NO4P/c1-11(2)9-18-20(17,19-10-12(3)4)14(16)13-5-7-15-8-6-13/h5-8,11-12,14,16H,9-10H2,1-4H3
InChIKeyMWXMSKLYRAYXHZ-UHFFFAOYSA-N
MW301.32 g/mol
LogP3.61
Rot. Bonds8

About bis(2-methylpropoxy)phosphoryl-pyridin-4-ylmethanol

bis(2-methylpropoxy)phosphoryl-pyridin-4-ylmethanol (PubChem CID 18859992) has the molecular formula C14H24NO4P and a molecular weight of 301.32 g/mol. Its IUPAC name is bis(2-methylpropoxy)phosphoryl-pyridin-4-ylmethanol.

Molecular Properties

Compound Namebis(2-methylpropoxy)phosphoryl-pyridin-4-ylmethanol
PubChem CID18859992
Molecular FormulaC14H24NO4P
Molecular Weight301.32 g/mol
Exact Mass301.14
IUPAC Namebis(2-methylpropoxy)phosphoryl-pyridin-4-ylmethanol
SMILESCC(C)COP(=O)(OCC(C)C)C(O)c1ccncc1
InChIInChI=1S/C14H24NO4P/c1-11(2)9-18-20(17,19-10-12(3)4)14(16)13-5-7-15-8-6-13/h5-8,11-12,14,16H,9-10H2,1-4H3
InChIKeyMWXMSKLYRAYXHZ-UHFFFAOYSA-N
XLogP3.61
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(R)-[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-pyridin-4-ylmethanol
CID 11860785
(S)-[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-pyridin-3-ylmethanol
CID 11860720
bis(2-methylpropoxy)phosphoryl-(4-methoxyphenyl)methanamine
CID 102572312
6-methyl-2-pyridin-4-ylheptan-3-ol
CID 66460886
4-methyl-2-pyridin-4-ylhexan-3-ol
CID 66461088
bis(phenylmethoxy)phosphoryl-[4-(dimethylamino)phenyl]methanol
CID 102186412
2-methylpropyl phosphate
CID 22629809
2-[bis(2-methylpropyl)amino]-1-pyridin-4-ylethanol
CID 82216500
6-methyl-2-pyridin-4-ylheptan-3-one
CID 66471839
1,3-dipyridin-4-ylpropane-1,3-diol
CID 153433085
[(1S)-1-pyridin-4-ylethyl] methanesulfonate
CID 163739842
4-(2-methylpropylsulfanyl)pyridine
CID 23548728

Frequently Asked Questions

What is the IUPAC name of bis(2-methylpropoxy)phosphoryl-pyridin-4-ylmethanol?
The IUPAC name of bis(2-methylpropoxy)phosphoryl-pyridin-4-ylmethanol (CID 18859992) is bis(2-methylpropoxy)phosphoryl-pyridin-4-ylmethanol.
What is the SMILES notation for bis(2-methylpropoxy)phosphoryl-pyridin-4-ylmethanol?
The canonical SMILES for bis(2-methylpropoxy)phosphoryl-pyridin-4-ylmethanol is CC(C)COP(=O)(OCC(C)C)C(O)c1ccncc1.
What is the InChIKey of bis(2-methylpropoxy)phosphoryl-pyridin-4-ylmethanol?
The InChIKey is MWXMSKLYRAYXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24NO4P/c1-11(2)9-18-20(17,19-10-12(3)4)14(16)13-5-7-15-8-6-13/h5-8,11-12,14,16H,9-10H2,1-4H3.
What are the key properties of bis(2-methylpropoxy)phosphoryl-pyridin-4-ylmethanol?
bis(2-methylpropoxy)phosphoryl-pyridin-4-ylmethanol has a molecular weight of 301.32 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylpropoxy)phosphoryl-pyridin-4-ylmethanol is sourced from PubChem (CID 18859992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).