4-[(4-formyl-3-hydroxyphenoxy)methyl]benzoic acid;yttrium

C15H12O5Y — CID 18723919

IUPAC4-[(4-formyl-3-hydroxyphenoxy)methyl]benzoic acid;yttrium
SMILESO=Cc1ccc(OCc2ccc(C(=O)O)cc2)cc1O.[Y]
InChIInChI=1S/C15H12O5.Y/c16-8-12-5-6-13(7-14(12)17)20-9-10-1-3-11(4-2-10)15(18)19;/h1-8,17H,9H2,(H,18,19);
InChIKeyFVQXSXXVMGNNSW-UHFFFAOYSA-N
MW361.16 g/mol
LogP2.48
Rot. Bonds5

About 4-[(4-formyl-3-hydroxyphenoxy)methyl]benzoic acid;yttrium

4-[(4-formyl-3-hydroxyphenoxy)methyl]benzoic acid;yttrium (PubChem CID 18723919) has the molecular formula C15H12O5Y and a molecular weight of 361.16 g/mol. Its IUPAC name is 4-[(4-formyl-3-hydroxyphenoxy)methyl]benzoic acid;yttrium.

Molecular Properties

Compound Name4-[(4-formyl-3-hydroxyphenoxy)methyl]benzoic acid;yttrium
PubChem CID18723919
Molecular FormulaC15H12O5Y
Molecular Weight361.16 g/mol
Exact Mass360.97
IUPAC Name4-[(4-formyl-3-hydroxyphenoxy)methyl]benzoic acid;yttrium
SMILESO=Cc1ccc(OCc2ccc(C(=O)O)cc2)cc1O.[Y]
InChIInChI=1S/C15H12O5.Y/c16-8-12-5-6-13(7-14(12)17)20-9-10-1-3-11(4-2-10)15(18)19;/h1-8,17H,9H2,(H,18,19);
InChIKeyFVQXSXXVMGNNSW-UHFFFAOYSA-N
XLogP2.48
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.16
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-dihydroxybenzaldehyde;4-[(4-formyl-3-hydroxyphenoxy)methyl]benzoic acid;methyl 4-(bromomethyl)benzoate;bis(yttrium)
CID 158052005
4-[[3-[(4-carboxyphenyl)methoxy]-5-[(4-formyloxyphenyl)methoxy]phenoxy]methyl]benzoic acid
CID 58868231
4-[[4-(3-carboxypropanoyloxy)-3-formylphenoxy]methyl]benzoic acid
CID 59104729
2-hydroxy-4-(thiophen-3-ylmethoxy)benzaldehyde
CID 10537643
4-[[4-(4,4-dihydroxybutanoyloxy)-3-formylphenoxy]methyl]benzoic acid
CID 20599431
4-[[4-[[4-[(4-carboxyphenyl)methoxy]-3-formylphenyl]methyl]-2-formylphenoxy]methyl]benzoic acid
CID 59154492
2-hydroxy-4-(3-hydroxypropoxy)benzaldehyde
CID 86617706
4-phenylmethoxybenzoic acid
CID 68896574
4-[[4-(4-carboxyphenoxy)phenyl]methoxy]phthalic acid
CID 141018936
4-[(4-ethylphenoxy)methyl]benzoic acid
CID 585022
4-[(4-bromophenyl)methoxy]benzoic acid
CID 8706939
4-[(2-methyl-1,3-benzothiazol-6-yl)oxymethyl]benzoic acid
CID 82189810

Frequently Asked Questions

What is the IUPAC name of 4-[(4-formyl-3-hydroxyphenoxy)methyl]benzoic acid;yttrium?
The IUPAC name of 4-[(4-formyl-3-hydroxyphenoxy)methyl]benzoic acid;yttrium (CID 18723919) is 4-[(4-formyl-3-hydroxyphenoxy)methyl]benzoic acid;yttrium.
What is the SMILES notation for 4-[(4-formyl-3-hydroxyphenoxy)methyl]benzoic acid;yttrium?
The canonical SMILES for 4-[(4-formyl-3-hydroxyphenoxy)methyl]benzoic acid;yttrium is O=Cc1ccc(OCc2ccc(C(=O)O)cc2)cc1O.[Y].
What is the InChIKey of 4-[(4-formyl-3-hydroxyphenoxy)methyl]benzoic acid;yttrium?
The InChIKey is FVQXSXXVMGNNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O5.Y/c16-8-12-5-6-13(7-14(12)17)20-9-10-1-3-11(4-2-10)15(18)19;/h1-8,17H,9H2,(H,18,19);.
What are the key properties of 4-[(4-formyl-3-hydroxyphenoxy)methyl]benzoic acid;yttrium?
4-[(4-formyl-3-hydroxyphenoxy)methyl]benzoic acid;yttrium has a molecular weight of 361.16 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-formyl-3-hydroxyphenoxy)methyl]benzoic acid;yttrium is sourced from PubChem (CID 18723919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).