6-hydroxy-3-[(2E,4Z)-2-methylhepta-2,4,6-trienoxy]-2-phosphanylbenzaldehyde

C15H17O3P — CID 170078487

IUPAC6-hydroxy-3-[(2E,4Z)-2-methylhepta-2,4,6-trienoxy]-2-phosphanylbenzaldehyde
SMILESC=C/C=C\C=C(/C)COc1ccc(O)c(C=O)c1P
InChIInChI=1S/C15H17O3P/c1-3-4-5-6-11(2)10-18-14-8-7-13(17)12(9-16)15(14)19/h3-9,17H,1,10,19H2,2H3/b5-4-,11-6+
InChIKeyWPBYDMZWCPXDBY-UMEJXRAUSA-N
MW276.27 g/mol
LogP2.77
Rot. Bonds6

About 6-hydroxy-3-[(2E,4Z)-2-methylhepta-2,4,6-trienoxy]-2-phosphanylbenzaldehyde

6-hydroxy-3-[(2E,4Z)-2-methylhepta-2,4,6-trienoxy]-2-phosphanylbenzaldehyde (PubChem CID 170078487) has the molecular formula C15H17O3P and a molecular weight of 276.27 g/mol. Its IUPAC name is 6-hydroxy-3-[(2E,4Z)-2-methylhepta-2,4,6-trienoxy]-2-phosphanylbenzaldehyde.

Molecular Properties

Compound Name6-hydroxy-3-[(2E,4Z)-2-methylhepta-2,4,6-trienoxy]-2-phosphanylbenzaldehyde
PubChem CID170078487
Molecular FormulaC15H17O3P
Molecular Weight276.27 g/mol
Exact Mass276.09
IUPAC Name6-hydroxy-3-[(2E,4Z)-2-methylhepta-2,4,6-trienoxy]-2-phosphanylbenzaldehyde
SMILESC=C/C=C\C=C(/C)COc1ccc(O)c(C=O)c1P
InChIInChI=1S/C15H17O3P/c1-3-4-5-6-11(2)10-18-14-8-7-13(17)12(9-16)15(14)19/h3-9,17H,1,10,19H2,2H3/b5-4-,11-6+
InChIKeyWPBYDMZWCPXDBY-UMEJXRAUSA-N
XLogP2.77
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 52.77
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

3-methyl-4-[(2E)-2-methylpenta-2,4-dienoxy]phenol
CID 15532232
3-ethoxy-6-hydroxy-2-methoxybenzaldehyde
CID 134891938
2-ethoxy-3-[(2E,4Z)-2-methylhepta-2,4-dienoxy]benzaldehyde
CID 143712949
2-(2-methylprop-2-enoxy)naphthalene-1-carbaldehyde
CID 4737132
4-[(2E)-2-ethenylpenta-2,4-dienoxy]-3-methoxybenzaldehyde
CID 142940624
(3Z,5Z)-6,8-dimethylnona-1,3,5-triene;ethane
CID 145049129
2-formyl-N-[(3E,5Z)-3-methylocta-3,5,7-trienyl]benzamide
CID 142265185
2,6-dihydroxybenzaldehyde;formaldehyde
CID 158378810
6-hydroxy-3-methoxy-2-nitrobenzaldehyde
CID 44614059
2-(1-formylnaphthalen-2-yl)oxy-N-(2-methylbutan-2-yl)acetamide
CID 9010002
(3E,5Z)-3-methylocta-3,5,7-trien-1-ol
CID 89264860
3-ethoxy-4-(2-methylprop-2-enoxy)benzaldehyde
CID 22343686

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-3-[(2E,4Z)-2-methylhepta-2,4,6-trienoxy]-2-phosphanylbenzaldehyde?
The IUPAC name of 6-hydroxy-3-[(2E,4Z)-2-methylhepta-2,4,6-trienoxy]-2-phosphanylbenzaldehyde (CID 170078487) is 6-hydroxy-3-[(2E,4Z)-2-methylhepta-2,4,6-trienoxy]-2-phosphanylbenzaldehyde.
What is the SMILES notation for 6-hydroxy-3-[(2E,4Z)-2-methylhepta-2,4,6-trienoxy]-2-phosphanylbenzaldehyde?
The canonical SMILES for 6-hydroxy-3-[(2E,4Z)-2-methylhepta-2,4,6-trienoxy]-2-phosphanylbenzaldehyde is C=C/C=C\C=C(/C)COc1ccc(O)c(C=O)c1P.
What is the InChIKey of 6-hydroxy-3-[(2E,4Z)-2-methylhepta-2,4,6-trienoxy]-2-phosphanylbenzaldehyde?
The InChIKey is WPBYDMZWCPXDBY-UMEJXRAUSA-N. The full InChI is InChI=1S/C15H17O3P/c1-3-4-5-6-11(2)10-18-14-8-7-13(17)12(9-16)15(14)19/h3-9,17H,1,10,19H2,2H3/b5-4-,11-6+.
What are the key properties of 6-hydroxy-3-[(2E,4Z)-2-methylhepta-2,4,6-trienoxy]-2-phosphanylbenzaldehyde?
6-hydroxy-3-[(2E,4Z)-2-methylhepta-2,4,6-trienoxy]-2-phosphanylbenzaldehyde has a molecular weight of 276.27 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-3-[(2E,4Z)-2-methylhepta-2,4,6-trienoxy]-2-phosphanylbenzaldehyde is sourced from PubChem (CID 170078487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).