2-(1-methoxy-2,2-dimethylpropoxy)-5-(1-phosphanylpropyl)phenol

C15H25O3P — CID 142309896

IUPAC2-(1-methoxy-2,2-dimethylpropoxy)-5-(1-phosphanylpropyl)phenol
SMILESCCC(P)c1ccc(OC(OC)C(C)(C)C)c(O)c1
InChIInChI=1S/C15H25O3P/c1-6-13(19)10-7-8-12(11(16)9-10)18-14(17-5)15(2,3)4/h7-9,13-14,16H,6,19H2,1-5H3
InChIKeyBNKZDVLBGRIBIO-UHFFFAOYSA-N
MW284.34 g/mol
LogP4.12
Rot. Bonds5

About 2-(1-methoxy-2,2-dimethylpropoxy)-5-(1-phosphanylpropyl)phenol

2-(1-methoxy-2,2-dimethylpropoxy)-5-(1-phosphanylpropyl)phenol (PubChem CID 142309896) has the molecular formula C15H25O3P and a molecular weight of 284.34 g/mol. Its IUPAC name is 2-(1-methoxy-2,2-dimethylpropoxy)-5-(1-phosphanylpropyl)phenol.

Molecular Properties

Compound Name2-(1-methoxy-2,2-dimethylpropoxy)-5-(1-phosphanylpropyl)phenol
PubChem CID142309896
Molecular FormulaC15H25O3P
Molecular Weight284.34 g/mol
Exact Mass284.15
IUPAC Name2-(1-methoxy-2,2-dimethylpropoxy)-5-(1-phosphanylpropyl)phenol
SMILESCCC(P)c1ccc(OC(OC)C(C)(C)C)c(O)c1
InChIInChI=1S/C15H25O3P/c1-6-13(19)10-7-8-12(11(16)9-10)18-14(17-5)15(2,3)4/h7-9,13-14,16H,6,19H2,1-5H3
InChIKeyBNKZDVLBGRIBIO-UHFFFAOYSA-N
XLogP4.12
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

tris(4-butan-2-ylbenzene-1,2-diol);4-butan-2-yl-1,2-bis(1-methoxy-2,2-dimethylpropoxy)benzene;4-butan-2-yl-1,2-bis[(2-methylpropan-2-yl)oxy]benzene;5-butan-2-yl-2,2-dimethyl-1,3-benzodioxole;5-butan-2-yl-2-(1-methoxy-2,2-dimethylpropoxy)phenol;4-butan-2-ylphenol
CID 161090533
1-(5,5-dimethylhexan-3-yl)-4-(1-methoxy-2,2-dimethylpropoxy)benzene
CID 123140500
5-butan-2-yl-2-(3,3-dimethyl-1-propan-2-yloxybutoxy)phenol
CID 118446404
2-methoxy-5-[1-(methylamino)propyl]phenol
CID 83830986
5-[(1S,3S)-3-amino-1-hydroxy-4,4-dimethylpentyl]-2-methoxyphenol;hydrochloride
CID 171237103
5-[(1R,3R)-3-amino-1-hydroxy-4,4-dimethylpentyl]-2-methoxyphenol;hydrochloride
CID 171237715
(1S,2S)-1-(3-hydroxy-4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethane-1,2-diol
CID 10247286
5-[(1R)-1-aminobutyl]-2-methoxyphenol
CID 162344326
5-[(1S)-1-aminobutyl]-2-methoxyphenol;hydrochloride
CID 162344324
5-[(1S)-1-aminoethyl]-2-methoxyphenol
CID 55253033
tert-butyl 3-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-2-methylpropanoate
CID 66337444
5-(1-hydroxydodecyl)-2-methoxyphenol
CID 139789005

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxy-2,2-dimethylpropoxy)-5-(1-phosphanylpropyl)phenol?
The IUPAC name of 2-(1-methoxy-2,2-dimethylpropoxy)-5-(1-phosphanylpropyl)phenol (CID 142309896) is 2-(1-methoxy-2,2-dimethylpropoxy)-5-(1-phosphanylpropyl)phenol.
What is the SMILES notation for 2-(1-methoxy-2,2-dimethylpropoxy)-5-(1-phosphanylpropyl)phenol?
The canonical SMILES for 2-(1-methoxy-2,2-dimethylpropoxy)-5-(1-phosphanylpropyl)phenol is CCC(P)c1ccc(OC(OC)C(C)(C)C)c(O)c1.
What is the InChIKey of 2-(1-methoxy-2,2-dimethylpropoxy)-5-(1-phosphanylpropyl)phenol?
The InChIKey is BNKZDVLBGRIBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25O3P/c1-6-13(19)10-7-8-12(11(16)9-10)18-14(17-5)15(2,3)4/h7-9,13-14,16H,6,19H2,1-5H3.
What are the key properties of 2-(1-methoxy-2,2-dimethylpropoxy)-5-(1-phosphanylpropyl)phenol?
2-(1-methoxy-2,2-dimethylpropoxy)-5-(1-phosphanylpropyl)phenol has a molecular weight of 284.34 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxy-2,2-dimethylpropoxy)-5-(1-phosphanylpropyl)phenol is sourced from PubChem (CID 142309896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).