6-[[3-[4-(3-hydroxypropoxy)-2-methylphenyl]-2-methylphenyl]methoxy]pyridine-3-carbaldehyde

C24H25NO4 — CID 143796710

IUPAC6-[[3-[4-(3-hydroxypropoxy)-2-methylphenyl]-2-methylphenyl]methoxy]pyridine-3-carbaldehyde
SMILESCc1cc(OCCCO)ccc1-c1cccc(COc2ccc(C=O)cn2)c1C
InChIInChI=1S/C24H25NO4/c1-17-13-21(28-12-4-11-26)8-9-22(17)23-6-3-5-20(18(23)2)16-29-24-10-7-19(15-27)14-25-24/h3,5-10,13-15,26H,4,11-12,16H2,1-2H3
InChIKeyKCZRNKJUNAIUPE-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.52
Rot. Bonds9

About 6-[[3-[4-(3-hydroxypropoxy)-2-methylphenyl]-2-methylphenyl]methoxy]pyridine-3-carbaldehyde

6-[[3-[4-(3-hydroxypropoxy)-2-methylphenyl]-2-methylphenyl]methoxy]pyridine-3-carbaldehyde (PubChem CID 143796710) has the molecular formula C24H25NO4 and a molecular weight of 391.47 g/mol. Its IUPAC name is 6-[[3-[4-(3-hydroxypropoxy)-2-methylphenyl]-2-methylphenyl]methoxy]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-[[3-[4-(3-hydroxypropoxy)-2-methylphenyl]-2-methylphenyl]methoxy]pyridine-3-carbaldehyde
PubChem CID143796710
Molecular FormulaC24H25NO4
Molecular Weight391.47 g/mol
Exact Mass391.18
IUPAC Name6-[[3-[4-(3-hydroxypropoxy)-2-methylphenyl]-2-methylphenyl]methoxy]pyridine-3-carbaldehyde
SMILESCc1cc(OCCCO)ccc1-c1cccc(COc2ccc(C=O)cn2)c1C
InChIInChI=1S/C24H25NO4/c1-17-13-21(28-12-4-11-26)8-9-22(17)23-6-3-5-20(18(23)2)16-29-24-10-7-19(15-27)14-25-24/h3,5-10,13-15,26H,4,11-12,16H2,1-2H3
InChIKeyKCZRNKJUNAIUPE-UHFFFAOYSA-N
XLogP4.52
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3S)-4-[4-[3-[(4-formylphenoxy)methyl]-2-methylphenyl]-3-methylphenoxy]-3-methylbutanoic acid
CID 91037443
6-[[3-[4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2,6-dimethylphenyl]-2-methylphenyl]methoxy]pyridine-3-carbaldehyde
CID 89017829
5-[[3-[4-[2-(1-hydroxycyclobutyl)ethoxy]-2-methylphenyl]-2-methylphenyl]methoxy]cyclohepta-1,4,6-triene-1-carbaldehyde
CID 143566523
4-[[3-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2,5-dimethylphenyl]-2-methylphenyl]methoxy]benzaldehyde
CID 59544366
4-[[3-[3-(3-hydroxy-3-methylbutoxy)-2-methylphenyl]-2-methylphenyl]methoxy]benzaldehyde
CID 59544600
4-[[3-[4-(2,3-dihydroxy-2-methylpropoxy)-2,6-dimethylphenyl]-2-methylphenyl]methoxy]benzaldehyde
CID 59544558
4-[[3-[4-[(2R)-2-hydroxy-3-methoxypropoxy]-2,6-dimethylphenyl]-2-methylphenyl]methoxy]benzaldehyde
CID 89039088
6-[(3-methoxyphenyl)methoxy]pyridine-3-carbaldehyde
CID 80631360
tert-butyl N-[3-[4-[3-[(4-formylphenoxy)methyl]-2,6-dimethylphenyl]-3-methylphenoxy]propyl]carbamate
CID 141233655
4-[[3-[6-(2-iodophosphanyloxyethoxy)-2,4-dimethyl-3-pyridinyl]-2-methylphenyl]methoxy]benzaldehyde
CID 143796678
6-[(4-methoxyphenyl)methoxy]pyridine-3-carbaldehyde
CID 80632122
3-ethynyl-4-[[3-[3-[(2-ethynyl-4-methoxyphenoxy)methyl]-2-methylphenyl]-2-methylphenyl]methoxy]benzaldehyde
CID 134309891

Frequently Asked Questions

What is the IUPAC name of 6-[[3-[4-(3-hydroxypropoxy)-2-methylphenyl]-2-methylphenyl]methoxy]pyridine-3-carbaldehyde?
The IUPAC name of 6-[[3-[4-(3-hydroxypropoxy)-2-methylphenyl]-2-methylphenyl]methoxy]pyridine-3-carbaldehyde (CID 143796710) is 6-[[3-[4-(3-hydroxypropoxy)-2-methylphenyl]-2-methylphenyl]methoxy]pyridine-3-carbaldehyde.
What is the SMILES notation for 6-[[3-[4-(3-hydroxypropoxy)-2-methylphenyl]-2-methylphenyl]methoxy]pyridine-3-carbaldehyde?
The canonical SMILES for 6-[[3-[4-(3-hydroxypropoxy)-2-methylphenyl]-2-methylphenyl]methoxy]pyridine-3-carbaldehyde is Cc1cc(OCCCO)ccc1-c1cccc(COc2ccc(C=O)cn2)c1C.
What is the InChIKey of 6-[[3-[4-(3-hydroxypropoxy)-2-methylphenyl]-2-methylphenyl]methoxy]pyridine-3-carbaldehyde?
The InChIKey is KCZRNKJUNAIUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO4/c1-17-13-21(28-12-4-11-26)8-9-22(17)23-6-3-5-20(18(23)2)16-29-24-10-7-19(15-27)14-25-24/h3,5-10,13-15,26H,4,11-12,16H2,1-2H3.
What are the key properties of 6-[[3-[4-(3-hydroxypropoxy)-2-methylphenyl]-2-methylphenyl]methoxy]pyridine-3-carbaldehyde?
6-[[3-[4-(3-hydroxypropoxy)-2-methylphenyl]-2-methylphenyl]methoxy]pyridine-3-carbaldehyde has a molecular weight of 391.47 g/mol, XLogP of 4.52, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-[4-(3-hydroxypropoxy)-2-methylphenyl]-2-methylphenyl]methoxy]pyridine-3-carbaldehyde is sourced from PubChem (CID 143796710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).