4-hydroxybenzaldehyde;2,4,5-trimethoxybenzoic acid

C17H18O7 — CID 157275150

IUPAC4-hydroxybenzaldehyde;2,4,5-trimethoxybenzoic acid
SMILESCOc1cc(OC)c(C(=O)O)cc1OC.O=Cc1ccc(O)cc1
InChIInChI=1S/C10H12O5.C7H6O2/c1-13-7-5-9(15-3)8(14-2)4-6(7)10(11)12;8-5-6-1-3-7(9)4-2-6/h4-5H,1-3H3,(H,11,12);1-5,9H
InChIKeyAYZXFIGYMBHPKN-UHFFFAOYSA-N
MW334.32 g/mol
LogP2.62
Rot. Bonds5

About 4-hydroxybenzaldehyde;2,4,5-trimethoxybenzoic acid

4-hydroxybenzaldehyde;2,4,5-trimethoxybenzoic acid (PubChem CID 157275150) has the molecular formula C17H18O7 and a molecular weight of 334.32 g/mol. Its IUPAC name is 4-hydroxybenzaldehyde;2,4,5-trimethoxybenzoic acid.

Molecular Properties

Compound Name4-hydroxybenzaldehyde;2,4,5-trimethoxybenzoic acid
PubChem CID157275150
Molecular FormulaC17H18O7
Molecular Weight334.32 g/mol
Exact Mass334.11
IUPAC Name4-hydroxybenzaldehyde;2,4,5-trimethoxybenzoic acid
SMILESCOc1cc(OC)c(C(=O)O)cc1OC.O=Cc1ccc(O)cc1
InChIInChI=1S/C10H12O5.C7H6O2/c1-13-7-5-9(15-3)8(14-2)4-6(7)10(11)12;8-5-6-1-3-7(9)4-2-6/h4-5H,1-3H3,(H,11,12);1-5,9H
InChIKeyAYZXFIGYMBHPKN-UHFFFAOYSA-N
XLogP2.62
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.32
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(4-formylphenyl)-2-methoxybenzoic acid
CID 53225183
acetic acid;4-hydroxybenzaldehyde
CID 86610069
2,6-dimethoxybenzaldehyde;4-hydroxybenzaldehyde
CID 159655150
4-acetyl-3-methoxybenzaldehyde
CID 14123550
2,4-dimethoxy-5-methylbenzaldehyde;2,4-dimethoxy-5-methylbenzoic acid
CID 162265472
5-[3-(4-chlorophenyl)prop-2-enoyl]-2,4-dimethoxybenzoic acid
CID 54361582
1-(4-hydroxy-2-methoxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
CID 25201046
3-hydroxy-4-methoxybenzaldehyde
CID 87256894
2-(3,5-dimethoxyphenoxy)-4,5-dimethoxybenzoic acid
CID 141247390
3,4-dimethoxybenzaldehyde;4-hydroxy-3-methoxybenzaldehyde
CID 174683420
5-[(E)-hydroxyiminomethyl]-2-methoxybenzoic acid
CID 126055980
4-formylbenzoic acid;methoxymethane
CID 145138975

Frequently Asked Questions

What is the IUPAC name of 4-hydroxybenzaldehyde;2,4,5-trimethoxybenzoic acid?
The IUPAC name of 4-hydroxybenzaldehyde;2,4,5-trimethoxybenzoic acid (CID 157275150) is 4-hydroxybenzaldehyde;2,4,5-trimethoxybenzoic acid.
What is the SMILES notation for 4-hydroxybenzaldehyde;2,4,5-trimethoxybenzoic acid?
The canonical SMILES for 4-hydroxybenzaldehyde;2,4,5-trimethoxybenzoic acid is COc1cc(OC)c(C(=O)O)cc1OC.O=Cc1ccc(O)cc1.
What is the InChIKey of 4-hydroxybenzaldehyde;2,4,5-trimethoxybenzoic acid?
The InChIKey is AYZXFIGYMBHPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O5.C7H6O2/c1-13-7-5-9(15-3)8(14-2)4-6(7)10(11)12;8-5-6-1-3-7(9)4-2-6/h4-5H,1-3H3,(H,11,12);1-5,9H.
What are the key properties of 4-hydroxybenzaldehyde;2,4,5-trimethoxybenzoic acid?
4-hydroxybenzaldehyde;2,4,5-trimethoxybenzoic acid has a molecular weight of 334.32 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxybenzaldehyde;2,4,5-trimethoxybenzoic acid is sourced from PubChem (CID 157275150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).