4-[(2-chlorophenyl)methoxy]-3,5-dimethoxybenzaldehyde

C16H15ClO4 — CID 580684

IUPAC4-[(2-chlorophenyl)methoxy]-3,5-dimethoxybenzaldehyde
SMILESCOc1cc(C=O)cc(OC)c1OCc1ccccc1Cl
InChIInChI=1S/C16H15ClO4/c1-19-14-7-11(9-18)8-15(20-2)16(14)21-10-12-5-3-4-6-13(12)17/h3-9H,10H2,1-2H3
InChIKeyRFNOWRPMFHBRQI-UHFFFAOYSA-N
MW306.75 g/mol
LogP3.75
Rot. Bonds6

About 4-[(2-chlorophenyl)methoxy]-3,5-dimethoxybenzaldehyde

4-[(2-chlorophenyl)methoxy]-3,5-dimethoxybenzaldehyde (PubChem CID 580684) has the molecular formula C16H15ClO4 and a molecular weight of 306.75 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methoxy]-3,5-dimethoxybenzaldehyde.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methoxy]-3,5-dimethoxybenzaldehyde
PubChem CID580684
Molecular FormulaC16H15ClO4
Molecular Weight306.75 g/mol
Exact Mass306.07
IUPAC Name4-[(2-chlorophenyl)methoxy]-3,5-dimethoxybenzaldehyde
SMILESCOc1cc(C=O)cc(OC)c1OCc1ccccc1Cl
InChIInChI=1S/C16H15ClO4/c1-19-14-7-11(9-18)8-15(20-2)16(14)21-10-12-5-3-4-6-13(12)17/h3-9H,10H2,1-2H3
InChIKeyRFNOWRPMFHBRQI-UHFFFAOYSA-N
XLogP3.75
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[(2-chlorophenyl)methoxy]-3,5-dimethoxybenzaldehyde 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

3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxybenzaldehyde
CID 1276566
3-[(2-chlorophenyl)methoxy]-4-methoxybenzaldehyde
CID 3725223
3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxybenzaldehyde
CID 883200
4-[[4-[(4-formyl-2,6-dimethoxyphenoxy)methyl]-2,5-dimethoxyphenyl]methoxy]-3,5-dimethoxybenzaldehyde
CID 21037530
5-(chloromethyl)-2-[(2-chlorophenyl)methoxy]-1,3-dimethoxybenzene
CID 43516801
3-(5-formyl-3-methoxy-2-phenylmethoxyphenoxy)-5-methoxy-4-phenylmethoxybenzaldehyde
CID 102236097
3-[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]prop-2-enamide
CID 171137551
1-chloro-2-[(2-chlorophenyl)methoxy]-3-methoxy-5-[(E)-2-nitroethenyl]benzene
CID 1260860
6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxybenzaldehyde
CID 66528864
N-[[4-[(2-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylidene]hydroxylamine
CID 1311678
4-[(2-bromophenyl)methoxy]-3-iodo-5-methoxybenzaldehyde
CID 598181
3-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxybenzaldehyde
CID 43622437

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methoxy]-3,5-dimethoxybenzaldehyde?
The IUPAC name of 4-[(2-chlorophenyl)methoxy]-3,5-dimethoxybenzaldehyde (CID 580684) is 4-[(2-chlorophenyl)methoxy]-3,5-dimethoxybenzaldehyde.
What is the SMILES notation for 4-[(2-chlorophenyl)methoxy]-3,5-dimethoxybenzaldehyde?
The canonical SMILES for 4-[(2-chlorophenyl)methoxy]-3,5-dimethoxybenzaldehyde is COc1cc(C=O)cc(OC)c1OCc1ccccc1Cl.
What is the InChIKey of 4-[(2-chlorophenyl)methoxy]-3,5-dimethoxybenzaldehyde?
The InChIKey is RFNOWRPMFHBRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO4/c1-19-14-7-11(9-18)8-15(20-2)16(14)21-10-12-5-3-4-6-13(12)17/h3-9H,10H2,1-2H3.
What are the key properties of 4-[(2-chlorophenyl)methoxy]-3,5-dimethoxybenzaldehyde?
4-[(2-chlorophenyl)methoxy]-3,5-dimethoxybenzaldehyde has a molecular weight of 306.75 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methoxy]-3,5-dimethoxybenzaldehyde is sourced from PubChem (CID 580684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).