2,4-dimethoxy-5-methylbenzaldehyde;2,4-dimethoxy-5-methylbenzoic acid

C20H24O7 — CID 162265472

IUPAC2,4-dimethoxy-5-methylbenzaldehyde;2,4-dimethoxy-5-methylbenzoic acid
SMILESCOc1cc(OC)c(C(=O)O)cc1C.COc1cc(OC)c(C=O)cc1C
InChIInChI=1S/C10H12O4.C10H12O3/c1-6-4-7(10(11)12)9(14-3)5-8(6)13-2;1-7-4-8(6-11)10(13-3)5-9(7)12-2/h4-5H,1-3H3,(H,11,12);4-6H,1-3H3
InChIKeyZZVQYPBKQKSDTI-UHFFFAOYSA-N
MW376.41 g/mol
LogP3.54
Rot. Bonds6

About 2,4-dimethoxy-5-methylbenzaldehyde;2,4-dimethoxy-5-methylbenzoic acid

2,4-dimethoxy-5-methylbenzaldehyde;2,4-dimethoxy-5-methylbenzoic acid (PubChem CID 162265472) has the molecular formula C20H24O7 and a molecular weight of 376.41 g/mol. Its IUPAC name is 2,4-dimethoxy-5-methylbenzaldehyde;2,4-dimethoxy-5-methylbenzoic acid.

Molecular Properties

Compound Name2,4-dimethoxy-5-methylbenzaldehyde;2,4-dimethoxy-5-methylbenzoic acid
PubChem CID162265472
Molecular FormulaC20H24O7
Molecular Weight376.41 g/mol
Exact Mass376.15
IUPAC Name2,4-dimethoxy-5-methylbenzaldehyde;2,4-dimethoxy-5-methylbenzoic acid
SMILESCOc1cc(OC)c(C(=O)O)cc1C.COc1cc(OC)c(C=O)cc1C
InChIInChI=1S/C10H12O4.C10H12O3/c1-6-4-7(10(11)12)9(14-3)5-8(6)13-2;1-7-4-8(6-11)10(13-3)5-9(7)12-2/h4-5H,1-3H3,(H,11,12);4-6H,1-3H3
InChIKeyZZVQYPBKQKSDTI-UHFFFAOYSA-N
XLogP3.54
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethane;4-methoxy-2,5-dimethylbenzoic acid
CID 145075043
N,N-diethyl-2,4-dimethoxy-5-methylbenzamide;2,4-dimethoxy-5-methylbenzoic acid
CID 158871695
3-(2,4-dimethoxy-5-methylphenyl)prop-2-enoic acid
CID 67628018
4-(2-chloroacetyl)-2-methoxy-5-methylbenzaldehyde
CID 171022321
ethane;2,4,5-trimethoxybenzaldehyde
CID 144606441
4-fluoro-2-methoxy-5-methylbenzaldehyde
CID 54566251
5-acetyl-4-methoxy-2-methylbenzaldehyde
CID 171022024
methyl (E)-3-(2-formyl-4-methoxy-5-methylphenyl)prop-2-enoate
CID 59639436
4-hydroxybenzaldehyde;2,4,5-trimethoxybenzoic acid
CID 157275150
5-formyl-2-iodo-4-methoxybenzamide
CID 171015652
5-formyl-2-iodo-4-methoxybenzoyl chloride
CID 171015548
2-methoxy-4,5-dimethylbenzoyl bromide
CID 116924546

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-5-methylbenzaldehyde;2,4-dimethoxy-5-methylbenzoic acid?
The IUPAC name of 2,4-dimethoxy-5-methylbenzaldehyde;2,4-dimethoxy-5-methylbenzoic acid (CID 162265472) is 2,4-dimethoxy-5-methylbenzaldehyde;2,4-dimethoxy-5-methylbenzoic acid.
What is the SMILES notation for 2,4-dimethoxy-5-methylbenzaldehyde;2,4-dimethoxy-5-methylbenzoic acid?
The canonical SMILES for 2,4-dimethoxy-5-methylbenzaldehyde;2,4-dimethoxy-5-methylbenzoic acid is COc1cc(OC)c(C(=O)O)cc1C.COc1cc(OC)c(C=O)cc1C.
What is the InChIKey of 2,4-dimethoxy-5-methylbenzaldehyde;2,4-dimethoxy-5-methylbenzoic acid?
The InChIKey is ZZVQYPBKQKSDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4.C10H12O3/c1-6-4-7(10(11)12)9(14-3)5-8(6)13-2;1-7-4-8(6-11)10(13-3)5-9(7)12-2/h4-5H,1-3H3,(H,11,12);4-6H,1-3H3.
What are the key properties of 2,4-dimethoxy-5-methylbenzaldehyde;2,4-dimethoxy-5-methylbenzoic acid?
2,4-dimethoxy-5-methylbenzaldehyde;2,4-dimethoxy-5-methylbenzoic acid has a molecular weight of 376.41 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-5-methylbenzaldehyde;2,4-dimethoxy-5-methylbenzoic acid is sourced from PubChem (CID 162265472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).