6-hydroxy-2,3-dimethylbenzaldehyde;bis(2-methylquinolin-8-ol)

C29H28N2O4 — CID 87699542

IUPAC6-hydroxy-2,3-dimethylbenzaldehyde;bis(2-methylquinolin-8-ol)
SMILESCc1ccc(O)c(C=O)c1C.Cc1ccc2cccc(O)c2n1.Cc1ccc2cccc(O)c2n1
InChIInChI=1S/2C10H9NO.C9H10O2/c2*1-7-5-6-8-3-2-4-9(12)10(8)11-7;1-6-3-4-9(11)8(5-10)7(6)2/h2*2-6,12H,1H3;3-5,11H,1-2H3
InChIKeyDSCZJJFHQJBTIH-UHFFFAOYSA-N
MW468.55 g/mol
LogP6.32
Rot. Bonds1

About 6-hydroxy-2,3-dimethylbenzaldehyde;bis(2-methylquinolin-8-ol)

6-hydroxy-2,3-dimethylbenzaldehyde;bis(2-methylquinolin-8-ol) (PubChem CID 87699542) has the molecular formula C29H28N2O4 and a molecular weight of 468.55 g/mol. Its IUPAC name is 6-hydroxy-2,3-dimethylbenzaldehyde;bis(2-methylquinolin-8-ol).

Molecular Properties

Compound Name6-hydroxy-2,3-dimethylbenzaldehyde;bis(2-methylquinolin-8-ol)
PubChem CID87699542
Molecular FormulaC29H28N2O4
Molecular Weight468.55 g/mol
Exact Mass468.20
IUPAC Name6-hydroxy-2,3-dimethylbenzaldehyde;bis(2-methylquinolin-8-ol)
SMILESCc1ccc(O)c(C=O)c1C.Cc1ccc2cccc(O)c2n1.Cc1ccc2cccc(O)c2n1
InChIInChI=1S/2C10H9NO.C9H10O2/c2*1-7-5-6-8-3-2-4-9(12)10(8)11-7;1-6-3-4-9(11)8(5-10)7(6)2/h2*2-6,12H,1H3;3-5,11H,1-2H3
InChIKeyDSCZJJFHQJBTIH-UHFFFAOYSA-N
XLogP6.32
TPSA103.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.55
LogP ≤ 56.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

CID 6371660
CID 6371660
CID 66916636
CID 66916636
CID 172780914
CID 172780914
CID 173009222
CID 173009222
tetraaluminum;hexakis(2-methylquinolin-8-ol);tris(oxygen(2-))
CID 173129908
ethane;bis(2-methylquinolin-8-ol);propane;hydrate
CID 143591758
CID 69253745
CID 69253745
8-chloro-2-methylquinolin-7-ol
CID 135858974
N-(2-methylquinolin-8-yl)methanesulfonamide
CID 46887816
bis(2,4-dimethylquinolin-8-ol);2-hydroxy-6-phenylbenzaldehyde
CID 87699606
bis(2-methylquinolin-8-ol);naphthalene-1-carboxylic acid
CID 175208993
2-methyl-8-(sulfamoylamino)quinoline
CID 112573710

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2,3-dimethylbenzaldehyde;bis(2-methylquinolin-8-ol)?
The IUPAC name of 6-hydroxy-2,3-dimethylbenzaldehyde;bis(2-methylquinolin-8-ol) (CID 87699542) is 6-hydroxy-2,3-dimethylbenzaldehyde;bis(2-methylquinolin-8-ol).
What is the SMILES notation for 6-hydroxy-2,3-dimethylbenzaldehyde;bis(2-methylquinolin-8-ol)?
The canonical SMILES for 6-hydroxy-2,3-dimethylbenzaldehyde;bis(2-methylquinolin-8-ol) is Cc1ccc(O)c(C=O)c1C.Cc1ccc2cccc(O)c2n1.Cc1ccc2cccc(O)c2n1.
What is the InChIKey of 6-hydroxy-2,3-dimethylbenzaldehyde;bis(2-methylquinolin-8-ol)?
The InChIKey is DSCZJJFHQJBTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H9NO.C9H10O2/c2*1-7-5-6-8-3-2-4-9(12)10(8)11-7;1-6-3-4-9(11)8(5-10)7(6)2/h2*2-6,12H,1H3;3-5,11H,1-2H3.
What are the key properties of 6-hydroxy-2,3-dimethylbenzaldehyde;bis(2-methylquinolin-8-ol)?
6-hydroxy-2,3-dimethylbenzaldehyde;bis(2-methylquinolin-8-ol) has a molecular weight of 468.55 g/mol, XLogP of 6.32, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2,3-dimethylbenzaldehyde;bis(2-methylquinolin-8-ol) is sourced from PubChem (CID 87699542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).