carbanide;3,4-dimethoxybenzaldehyde;1,2-dimethoxy-4-methylbenzene;palladium

C19H25O5Pd- — CID 158784293

IUPACcarbanide;3,4-dimethoxybenzaldehyde;1,2-dimethoxy-4-methylbenzene;palladium
SMILESCOc1ccc(C)cc1OC.COc1ccc(C=O)cc1OC.[CH3-].[Pd]
InChIInChI=1S/C9H10O3.C9H12O2.CH3.Pd/c1-11-8-4-3-7(6-10)5-9(8)12-2;1-7-4-5-8(10-2)9(6-7)11-3;;/h3-6H,1-2H3;4-6H,1-3H3;1H3;/q;;-1;
InChIKeyNDQRRKNUNNSQKT-UHFFFAOYSA-N
MW439.82 g/mol
LogP3.98
Rot. Bonds5

About carbanide;3,4-dimethoxybenzaldehyde;1,2-dimethoxy-4-methylbenzene;palladium

carbanide;3,4-dimethoxybenzaldehyde;1,2-dimethoxy-4-methylbenzene;palladium (PubChem CID 158784293) has the molecular formula C19H25O5Pd- and a molecular weight of 439.82 g/mol. Its IUPAC name is carbanide;3,4-dimethoxybenzaldehyde;1,2-dimethoxy-4-methylbenzene;palladium.

Molecular Properties

Compound Namecarbanide;3,4-dimethoxybenzaldehyde;1,2-dimethoxy-4-methylbenzene;palladium
PubChem CID158784293
Molecular FormulaC19H25O5Pd-
Molecular Weight439.82 g/mol
Exact Mass439.07
IUPAC Namecarbanide;3,4-dimethoxybenzaldehyde;1,2-dimethoxy-4-methylbenzene;palladium
SMILESCOc1ccc(C)cc1OC.COc1ccc(C=O)cc1OC.[CH3-].[Pd]
InChIInChI=1S/C9H10O3.C9H12O2.CH3.Pd/c1-11-8-4-3-7(6-10)5-9(8)12-2;1-7-4-5-8(10-2)9(6-7)11-3;;/h3-6H,1-2H3;4-6H,1-3H3;1H3;/q;;-1;
InChIKeyNDQRRKNUNNSQKT-UHFFFAOYSA-N
XLogP3.98
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.82
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(2,5-dimethylphenoxy)propoxy]-3-methoxybenzaldehyde
CID 2264220
4-[3-(2-chloro-5-methylphenoxy)propoxy]-3-methoxybenzaldehyde
CID 2292017
3,4-dimethoxybenzaldehyde;4-hydroxy-3-methoxybenzaldehyde
CID 174683420
4-methoxy-3-(4-methylphenyl)benzaldehyde
CID 82038833
4-[3-(2-iodo-4-methylphenoxy)propoxy]-3-methoxybenzaldehyde
CID 2282969
3-(2,5-dimethylphenoxy)-4-methylbenzaldehyde
CID 105405428
4-(4-formyl-2-methoxyphenoxy)phosphanyloxy-3-methoxybenzaldehyde
CID 58610952
3,4-bis(trideuteriomethoxy)benzaldehyde
CID 56933525
3-chloro-4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 101137815
(4-formyl-2-methoxyphenyl) methanesulfonate
CID 3650004
3-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde
CID 3738735
4-[12-(4-formyl-2-methoxyphenoxy)dodecoxy]-3-methoxybenzaldehyde
CID 101048187

Frequently Asked Questions

What is the IUPAC name of carbanide;3,4-dimethoxybenzaldehyde;1,2-dimethoxy-4-methylbenzene;palladium?
The IUPAC name of carbanide;3,4-dimethoxybenzaldehyde;1,2-dimethoxy-4-methylbenzene;palladium (CID 158784293) is carbanide;3,4-dimethoxybenzaldehyde;1,2-dimethoxy-4-methylbenzene;palladium.
What is the SMILES notation for carbanide;3,4-dimethoxybenzaldehyde;1,2-dimethoxy-4-methylbenzene;palladium?
The canonical SMILES for carbanide;3,4-dimethoxybenzaldehyde;1,2-dimethoxy-4-methylbenzene;palladium is COc1ccc(C)cc1OC.COc1ccc(C=O)cc1OC.[CH3-].[Pd].
What is the InChIKey of carbanide;3,4-dimethoxybenzaldehyde;1,2-dimethoxy-4-methylbenzene;palladium?
The InChIKey is NDQRRKNUNNSQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3.C9H12O2.CH3.Pd/c1-11-8-4-3-7(6-10)5-9(8)12-2;1-7-4-5-8(10-2)9(6-7)11-3;;/h3-6H,1-2H3;4-6H,1-3H3;1H3;/q;;-1;.
What are the key properties of carbanide;3,4-dimethoxybenzaldehyde;1,2-dimethoxy-4-methylbenzene;palladium?
carbanide;3,4-dimethoxybenzaldehyde;1,2-dimethoxy-4-methylbenzene;palladium has a molecular weight of 439.82 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;3,4-dimethoxybenzaldehyde;1,2-dimethoxy-4-methylbenzene;palladium is sourced from PubChem (CID 158784293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).