5-chloro-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]methoxy]-2-methoxybenzaldehyde

C24H21ClO5 — CID 155375209

IUPAC5-chloro-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]methoxy]-2-methoxybenzaldehyde
SMILESCOc1cc(OCc2cccc(-c3ccc4c(c3)OCCO4)c2C)c(Cl)cc1C=O
InChIInChI=1S/C24H21ClO5/c1-15-17(14-30-23-12-22(27-2)18(13-26)10-20(23)25)4-3-5-19(15)16-6-7-21-24(11-16)29-9-8-28-21/h3-7,10-13H,8-9,14H2,1-2H3
InChIKeyRZFJCBHKOPOPRT-UHFFFAOYSA-N
MW424.88 g/mol
LogP5.49
Rot. Bonds6

About 5-chloro-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]methoxy]-2-methoxybenzaldehyde

5-chloro-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]methoxy]-2-methoxybenzaldehyde (PubChem CID 155375209) has the molecular formula C24H21ClO5 and a molecular weight of 424.88 g/mol. Its IUPAC name is 5-chloro-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]methoxy]-2-methoxybenzaldehyde.

Molecular Properties

Compound Name5-chloro-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]methoxy]-2-methoxybenzaldehyde
PubChem CID155375209
Molecular FormulaC24H21ClO5
Molecular Weight424.88 g/mol
Exact Mass424.11
IUPAC Name5-chloro-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]methoxy]-2-methoxybenzaldehyde
SMILESCOc1cc(OCc2cccc(-c3ccc4c(c3)OCCO4)c2C)c(Cl)cc1C=O
InChIInChI=1S/C24H21ClO5/c1-15-17(14-30-23-12-22(27-2)18(13-26)10-20(23)25)4-3-5-19(15)16-6-7-21-24(11-16)29-9-8-28-21/h3-7,10-13H,8-9,14H2,1-2H3
InChIKeyRZFJCBHKOPOPRT-UHFFFAOYSA-N
XLogP5.49
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.88
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-chloro-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]methoxy]-2-methoxybenzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]methoxy]-2-[(4-fluorophenyl)methoxy]benzaldehyde
CID 155375219
5-chloro-2-[(2,4-difluorophenyl)methoxy]-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]methoxy]benzaldehyde
CID 155375201
5-chloro-2-[(6-chloro-2-pyridinyl)methoxy]-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]methoxy]benzaldehyde
CID 155375207
5-chloro-2-[(3-chloro-4-fluorophenyl)methoxy]-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]methoxy]benzaldehyde
CID 155375197
5-chloro-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]methoxy]-2-(pyridin-3-ylmethoxy)benzaldehyde
CID 155375186
5-[[4-chloro-5-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]methoxy]-2-formylphenoxy]methyl]pyridine-3-carboxylic acid
CID 166471430
3-chloro-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]methoxy]-2-hydroxybenzaldehyde
CID 118434771
5-chloro-4-[[3-[3-[(2-chloro-4,5-dimethoxyphenoxy)methyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxybenzaldehyde
CID 134294966
N-[4-[[4-chloro-5-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]methoxy]-2-formylphenoxy]methyl]-2-pyridinyl]acetamide
CID 118435201
5-[[5-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]methoxy]-2-formyl-4-methylphenoxy]methyl]-2-fluorobenzonitrile
CID 118434864
1-[[5-chloro-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]methoxy]-2-(4,4,4-trifluorobutoxy)phenyl]methyl]piperidine;formic acid
CID 166471396
2-[[5-chloro-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]methoxy]-2-(3-hydroxypropoxy)phenyl]methylamino]-3-hydroxypropanoic acid
CID 166471356

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]methoxy]-2-methoxybenzaldehyde?
The IUPAC name of 5-chloro-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]methoxy]-2-methoxybenzaldehyde (CID 155375209) is 5-chloro-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]methoxy]-2-methoxybenzaldehyde.
What is the SMILES notation for 5-chloro-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]methoxy]-2-methoxybenzaldehyde?
The canonical SMILES for 5-chloro-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]methoxy]-2-methoxybenzaldehyde is COc1cc(OCc2cccc(-c3ccc4c(c3)OCCO4)c2C)c(Cl)cc1C=O.
What is the InChIKey of 5-chloro-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]methoxy]-2-methoxybenzaldehyde?
The InChIKey is RZFJCBHKOPOPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClO5/c1-15-17(14-30-23-12-22(27-2)18(13-26)10-20(23)25)4-3-5-19(15)16-6-7-21-24(11-16)29-9-8-28-21/h3-7,10-13H,8-9,14H2,1-2H3.
What are the key properties of 5-chloro-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]methoxy]-2-methoxybenzaldehyde?
5-chloro-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]methoxy]-2-methoxybenzaldehyde has a molecular weight of 424.88 g/mol, XLogP of 5.49, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]methoxy]-2-methoxybenzaldehyde is sourced from PubChem (CID 155375209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).