2-[2-[2-(hydroxymethyl)phenyl]phosphanylbutan-2-yl]-4-methoxyphenol

C18H23O3P — CID 71039887

IUPAC2-[2-[2-(hydroxymethyl)phenyl]phosphanylbutan-2-yl]-4-methoxyphenol
SMILESCCC(C)(Pc1ccccc1CO)c1cc(OC)ccc1O
InChIInChI=1S/C18H23O3P/c1-4-18(2,15-11-14(21-3)9-10-16(15)20)22-17-8-6-5-7-13(17)12-19/h5-11,19-20,22H,4,12H2,1-3H3
InChIKeyKNCILHNUQBYKPD-UHFFFAOYSA-N
MW318.35 g/mol
LogP3.52
Rot. Bonds6

About 2-[2-[2-(hydroxymethyl)phenyl]phosphanylbutan-2-yl]-4-methoxyphenol

2-[2-[2-(hydroxymethyl)phenyl]phosphanylbutan-2-yl]-4-methoxyphenol (PubChem CID 71039887) has the molecular formula C18H23O3P and a molecular weight of 318.35 g/mol. Its IUPAC name is 2-[2-[2-(hydroxymethyl)phenyl]phosphanylbutan-2-yl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[2-[2-(hydroxymethyl)phenyl]phosphanylbutan-2-yl]-4-methoxyphenol
PubChem CID71039887
Molecular FormulaC18H23O3P
Molecular Weight318.35 g/mol
Exact Mass318.14
IUPAC Name2-[2-[2-(hydroxymethyl)phenyl]phosphanylbutan-2-yl]-4-methoxyphenol
SMILESCCC(C)(Pc1ccccc1CO)c1cc(OC)ccc1O
InChIInChI=1S/C18H23O3P/c1-4-18(2,15-11-14(21-3)9-10-16(15)20)22-17-8-6-5-7-13(17)12-19/h5-11,19-20,22H,4,12H2,1-3H3
InChIKeyKNCILHNUQBYKPD-UHFFFAOYSA-N
XLogP3.52
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-hydroxy-5-methoxyphenyl)butan-2-ylphosphanyl]benzaldehyde
CID 88969127
4-methoxy-2-(2-methylbutan-2-yl)phenol
CID 11557455
4-methoxy-2-[2-[4-methyl-2-(methylaminomethyl)phenyl]phosphanylpentan-2-yl]phenol
CID 71191577
2-tert-butyl-4-methoxyphenol;ethane
CID 91123159
(2-fluorophenyl)-[2-(2-methoxy-5-methylphenyl)butan-2-yl]phosphane
CID 71040209
2,4-dimethyl-6-[2-[2-(methylaminomethyl)phenyl]phosphanylbutan-2-yl]phenol
CID 71039961
2-[[(1-hydroxy-2-methylbutan-2-yl)amino]methyl]-5-methoxyphenol
CID 64549738
2-[(2-ethylanilino)methyl]-4-methoxyphenol
CID 28617814
2-[(2R)-2-hydroxypent-4-en-2-yl]-4-methoxyphenol
CID 102252763
2-[2-[5-methoxy-2-(methoxymethoxy)phenyl]pentan-2-ylphosphanyl]benzaldehyde
CID 88987793
[5-(2,2-dimethylpentyl)-2-fluoro-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol
CID 143789392
2-[1-[(2-ethylphenyl)methylamino]ethyl]-4-methoxyphenol
CID 64682615

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(hydroxymethyl)phenyl]phosphanylbutan-2-yl]-4-methoxyphenol?
The IUPAC name of 2-[2-[2-(hydroxymethyl)phenyl]phosphanylbutan-2-yl]-4-methoxyphenol (CID 71039887) is 2-[2-[2-(hydroxymethyl)phenyl]phosphanylbutan-2-yl]-4-methoxyphenol.
What is the SMILES notation for 2-[2-[2-(hydroxymethyl)phenyl]phosphanylbutan-2-yl]-4-methoxyphenol?
The canonical SMILES for 2-[2-[2-(hydroxymethyl)phenyl]phosphanylbutan-2-yl]-4-methoxyphenol is CCC(C)(Pc1ccccc1CO)c1cc(OC)ccc1O.
What is the InChIKey of 2-[2-[2-(hydroxymethyl)phenyl]phosphanylbutan-2-yl]-4-methoxyphenol?
The InChIKey is KNCILHNUQBYKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23O3P/c1-4-18(2,15-11-14(21-3)9-10-16(15)20)22-17-8-6-5-7-13(17)12-19/h5-11,19-20,22H,4,12H2,1-3H3.
What are the key properties of 2-[2-[2-(hydroxymethyl)phenyl]phosphanylbutan-2-yl]-4-methoxyphenol?
2-[2-[2-(hydroxymethyl)phenyl]phosphanylbutan-2-yl]-4-methoxyphenol has a molecular weight of 318.35 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(hydroxymethyl)phenyl]phosphanylbutan-2-yl]-4-methoxyphenol is sourced from PubChem (CID 71039887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).