2-[2-(2-hydroxy-5-methoxyphenyl)butan-2-ylphosphanyl]benzaldehyde

C18H21O3P — CID 88969127

IUPAC2-[2-(2-hydroxy-5-methoxyphenyl)butan-2-ylphosphanyl]benzaldehyde
SMILESCCC(C)(Pc1ccccc1C=O)c1cc(OC)ccc1O
InChIInChI=1S/C18H21O3P/c1-4-18(2,15-11-14(21-3)9-10-16(15)20)22-17-8-6-5-7-13(17)12-19/h5-12,20,22H,4H2,1-3H3
InChIKeyYFRQLSACBXNTDA-UHFFFAOYSA-N
MW316.34 g/mol
LogP3.84
Rot. Bonds6

About 2-[2-(2-hydroxy-5-methoxyphenyl)butan-2-ylphosphanyl]benzaldehyde

2-[2-(2-hydroxy-5-methoxyphenyl)butan-2-ylphosphanyl]benzaldehyde (PubChem CID 88969127) has the molecular formula C18H21O3P and a molecular weight of 316.34 g/mol. Its IUPAC name is 2-[2-(2-hydroxy-5-methoxyphenyl)butan-2-ylphosphanyl]benzaldehyde.

Molecular Properties

Compound Name2-[2-(2-hydroxy-5-methoxyphenyl)butan-2-ylphosphanyl]benzaldehyde
PubChem CID88969127
Molecular FormulaC18H21O3P
Molecular Weight316.34 g/mol
Exact Mass316.12
IUPAC Name2-[2-(2-hydroxy-5-methoxyphenyl)butan-2-ylphosphanyl]benzaldehyde
SMILESCCC(C)(Pc1ccccc1C=O)c1cc(OC)ccc1O
InChIInChI=1S/C18H21O3P/c1-4-18(2,15-11-14(21-3)9-10-16(15)20)22-17-8-6-5-7-13(17)12-19/h5-12,20,22H,4H2,1-3H3
InChIKeyYFRQLSACBXNTDA-UHFFFAOYSA-N
XLogP3.84
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-(hydroxymethyl)phenyl]phosphanylbutan-2-yl]-4-methoxyphenol
CID 71039887
2-[2-[5-methoxy-2-(methoxymethoxy)phenyl]pentan-2-ylphosphanyl]benzaldehyde
CID 88987793
2-[2-(3-benzyl-2-hydroxyphenyl)butan-2-ylphosphanyl]benzaldehyde
CID 88987570
2-[2-(3-methoxy-2-phenylmethoxyphenyl)butan-2-ylphosphanyl]benzaldehyde
CID 88969071
4-methoxy-2-(2-methylbutan-2-yl)phenol
CID 11557455
2-[2-[3-(2,3-dimethylpentan-2-yl)-2-(hydroxymethoxy)-5-methylphenyl]butan-2-ylphosphanyl]benzaldehyde
CID 88987768
2-tert-butyl-4-methoxyphenol;ethane
CID 91123159
4-methoxy-2-[2-[4-methyl-2-(methylaminomethyl)phenyl]phosphanylpentan-2-yl]phenol
CID 71191577
5-(2-fluoro-5-methoxyphenyl)-2-hydroxybenzaldehyde
CID 53220437
2-[(2R)-2-hydroxypent-4-en-2-yl]-4-methoxyphenol
CID 102252763
3-(2-hydroxy-4-methoxyphenyl)-3-methylbutanal
CID 23504356
1-[2-[3-(5-methoxy-2-phenylmethoxyphenyl)hexan-3-ylphosphanyl]phenyl]-N-methylmethanimine
CID 71191593

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxy-5-methoxyphenyl)butan-2-ylphosphanyl]benzaldehyde?
The IUPAC name of 2-[2-(2-hydroxy-5-methoxyphenyl)butan-2-ylphosphanyl]benzaldehyde (CID 88969127) is 2-[2-(2-hydroxy-5-methoxyphenyl)butan-2-ylphosphanyl]benzaldehyde.
What is the SMILES notation for 2-[2-(2-hydroxy-5-methoxyphenyl)butan-2-ylphosphanyl]benzaldehyde?
The canonical SMILES for 2-[2-(2-hydroxy-5-methoxyphenyl)butan-2-ylphosphanyl]benzaldehyde is CCC(C)(Pc1ccccc1C=O)c1cc(OC)ccc1O.
What is the InChIKey of 2-[2-(2-hydroxy-5-methoxyphenyl)butan-2-ylphosphanyl]benzaldehyde?
The InChIKey is YFRQLSACBXNTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21O3P/c1-4-18(2,15-11-14(21-3)9-10-16(15)20)22-17-8-6-5-7-13(17)12-19/h5-12,20,22H,4H2,1-3H3.
What are the key properties of 2-[2-(2-hydroxy-5-methoxyphenyl)butan-2-ylphosphanyl]benzaldehyde?
2-[2-(2-hydroxy-5-methoxyphenyl)butan-2-ylphosphanyl]benzaldehyde has a molecular weight of 316.34 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxy-5-methoxyphenyl)butan-2-ylphosphanyl]benzaldehyde is sourced from PubChem (CID 88969127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).