2,6-dimethoxy-4-[(2-methylpropan-2-yl)oxy-phenylphosphanyl]benzaldehyde

C19H23O4P — CID 91071721

IUPAC2,6-dimethoxy-4-[(2-methylpropan-2-yl)oxy-phenylphosphanyl]benzaldehyde
SMILESCOc1cc(P(OC(C)(C)C)c2ccccc2)cc(OC)c1C=O
InChIInChI=1S/C19H23O4P/c1-19(2,3)23-24(14-9-7-6-8-10-14)15-11-17(21-4)16(13-20)18(12-15)22-5/h6-13H,1-5H3
InChIKeyHKAKGJMIWWMBKB-UHFFFAOYSA-N
MW346.36 g/mol
LogP3.68
Rot. Bonds6

About 2,6-dimethoxy-4-[(2-methylpropan-2-yl)oxy-phenylphosphanyl]benzaldehyde

2,6-dimethoxy-4-[(2-methylpropan-2-yl)oxy-phenylphosphanyl]benzaldehyde (PubChem CID 91071721) has the molecular formula C19H23O4P and a molecular weight of 346.36 g/mol. Its IUPAC name is 2,6-dimethoxy-4-[(2-methylpropan-2-yl)oxy-phenylphosphanyl]benzaldehyde.

Molecular Properties

Compound Name2,6-dimethoxy-4-[(2-methylpropan-2-yl)oxy-phenylphosphanyl]benzaldehyde
PubChem CID91071721
Molecular FormulaC19H23O4P
Molecular Weight346.36 g/mol
Exact Mass346.13
IUPAC Name2,6-dimethoxy-4-[(2-methylpropan-2-yl)oxy-phenylphosphanyl]benzaldehyde
SMILESCOc1cc(P(OC(C)(C)C)c2ccccc2)cc(OC)c1C=O
InChIInChI=1S/C19H23O4P/c1-19(2,3)23-24(14-9-7-6-8-10-14)15-11-17(21-4)16(13-20)18(12-15)22-5/h6-13H,1-5H3
InChIKeyHKAKGJMIWWMBKB-UHFFFAOYSA-N
XLogP3.68
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,6-dimethoxy-4-[methoxy(phenyl)phosphanyl]benzaldehyde
CID 91083738
2,6-dimethoxy-4-[phenyl(propoxy)phosphanyl]benzaldehyde
CID 90687309
lithium;2,6-dimethoxy-4-[2-methylpropoxy(phenyl)phosphanyl]benzaldehyde;hydride
CID 174416318
lithium;3-chloro-2-methoxy-5-[(2-methylpropan-2-yl)oxy-phenylphosphanyl]benzaldehyde;hydride
CID 174384987
4-tert-butyl-2,6-dimethoxybenzaldehyde
CID 138453760
tert-butyl 2-diphenylphosphanyloxy-2-methylpropanoate
CID 102349564
(3-tert-butyl-5-methoxyphenoxy)-diphenylphosphane
CID 141162614
4-[[2-[2-bis(3,4,5-trimethoxyphenyl)phosphanyl-6-methoxyphenyl]-3-methoxyphenyl]-(3,4,5-trimethoxyphenyl)phosphanyl]-2,6-dimethoxybenzaldehyde
CID 146519174
2-methoxy-4,6-bis(phenylmethoxy)benzaldehyde
CID 10980954
(2-methoxyphenyl)-phenoxy-phenylphosphane
CID 78037549
(2-methoxyphenyl)-phenoxy-phenylphosphane
CID 71212347
3,4,6-trimethoxy-2-phenylmethoxybenzaldehyde
CID 57327464

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-4-[(2-methylpropan-2-yl)oxy-phenylphosphanyl]benzaldehyde?
The IUPAC name of 2,6-dimethoxy-4-[(2-methylpropan-2-yl)oxy-phenylphosphanyl]benzaldehyde (CID 91071721) is 2,6-dimethoxy-4-[(2-methylpropan-2-yl)oxy-phenylphosphanyl]benzaldehyde.
What is the SMILES notation for 2,6-dimethoxy-4-[(2-methylpropan-2-yl)oxy-phenylphosphanyl]benzaldehyde?
The canonical SMILES for 2,6-dimethoxy-4-[(2-methylpropan-2-yl)oxy-phenylphosphanyl]benzaldehyde is COc1cc(P(OC(C)(C)C)c2ccccc2)cc(OC)c1C=O.
What is the InChIKey of 2,6-dimethoxy-4-[(2-methylpropan-2-yl)oxy-phenylphosphanyl]benzaldehyde?
The InChIKey is HKAKGJMIWWMBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23O4P/c1-19(2,3)23-24(14-9-7-6-8-10-14)15-11-17(21-4)16(13-20)18(12-15)22-5/h6-13H,1-5H3.
What are the key properties of 2,6-dimethoxy-4-[(2-methylpropan-2-yl)oxy-phenylphosphanyl]benzaldehyde?
2,6-dimethoxy-4-[(2-methylpropan-2-yl)oxy-phenylphosphanyl]benzaldehyde has a molecular weight of 346.36 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-4-[(2-methylpropan-2-yl)oxy-phenylphosphanyl]benzaldehyde is sourced from PubChem (CID 91071721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).