4-[3-(2-chloro-5-methylphenoxy)propoxy]-3-methoxybenzaldehyde

C18H19ClO4 — CID 2292017

IUPAC4-[3-(2-chloro-5-methylphenoxy)propoxy]-3-methoxybenzaldehyde
SMILESCOc1cc(C=O)ccc1OCCCOc1cc(C)ccc1Cl
InChIInChI=1S/C18H19ClO4/c1-13-4-6-15(19)17(10-13)23-9-3-8-22-16-7-5-14(12-20)11-18(16)21-2/h4-7,10-12H,3,8-9H2,1-2H3
InChIKeyQGVAHYLWRSOAMB-UHFFFAOYSA-N
MW334.80 g/mol
LogP4.32
Rot. Bonds8

About 4-[3-(2-chloro-5-methylphenoxy)propoxy]-3-methoxybenzaldehyde

4-[3-(2-chloro-5-methylphenoxy)propoxy]-3-methoxybenzaldehyde (PubChem CID 2292017) has the molecular formula C18H19ClO4 and a molecular weight of 334.80 g/mol. Its IUPAC name is 4-[3-(2-chloro-5-methylphenoxy)propoxy]-3-methoxybenzaldehyde.

Molecular Properties

Compound Name4-[3-(2-chloro-5-methylphenoxy)propoxy]-3-methoxybenzaldehyde
PubChem CID2292017
Molecular FormulaC18H19ClO4
Molecular Weight334.80 g/mol
Exact Mass334.10
IUPAC Name4-[3-(2-chloro-5-methylphenoxy)propoxy]-3-methoxybenzaldehyde
SMILESCOc1cc(C=O)ccc1OCCCOc1cc(C)ccc1Cl
InChIInChI=1S/C18H19ClO4/c1-13-4-6-15(19)17(10-13)23-9-3-8-22-16-7-5-14(12-20)11-18(16)21-2/h4-7,10-12H,3,8-9H2,1-2H3
InChIKeyQGVAHYLWRSOAMB-UHFFFAOYSA-N
XLogP4.32
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

1-chloro-2-[3-(2-methoxy-4-methylphenoxy)propoxy]-4-methylbenzene
CID 2899624
4-[3-(2,5-dimethylphenoxy)propoxy]-3-methoxybenzaldehyde
CID 2264220
4-[2-(2,5-dichlorophenoxy)ethoxy]-3-methoxybenzaldehyde
CID 2899329
4-[3-(2-iodo-4-methylphenoxy)propoxy]-3-methoxybenzaldehyde
CID 2282969
4-[3-(4-bromo-2-chlorophenoxy)propoxy]-3-methoxybenzaldehyde
CID 2283415
4-[12-(4-formyl-2-methoxyphenoxy)dodecoxy]-3-methoxybenzaldehyde
CID 101048187
4-[3-(3,5-dimethylphenoxy)propoxy]-3-methoxybenzaldehyde
CID 2284376
1-chloro-2-[2-[2-(2-methoxy-4-methylphenoxy)ethoxy]ethoxy]-4-methylbenzene
CID 2285628
carbanide;3,4-dimethoxybenzaldehyde;1,2-dimethoxy-4-methylbenzene;palladium
CID 158784293
4-[2-(4-chloro-2,6-dimethylphenoxy)ethoxy]-3-methoxybenzaldehyde
CID 2283387
4-[3-(4-bromo-2,6-dimethylphenoxy)propoxy]-3-methoxybenzaldehyde
CID 2282859
3-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde
CID 3738735

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-chloro-5-methylphenoxy)propoxy]-3-methoxybenzaldehyde?
The IUPAC name of 4-[3-(2-chloro-5-methylphenoxy)propoxy]-3-methoxybenzaldehyde (CID 2292017) is 4-[3-(2-chloro-5-methylphenoxy)propoxy]-3-methoxybenzaldehyde.
What is the SMILES notation for 4-[3-(2-chloro-5-methylphenoxy)propoxy]-3-methoxybenzaldehyde?
The canonical SMILES for 4-[3-(2-chloro-5-methylphenoxy)propoxy]-3-methoxybenzaldehyde is COc1cc(C=O)ccc1OCCCOc1cc(C)ccc1Cl.
What is the InChIKey of 4-[3-(2-chloro-5-methylphenoxy)propoxy]-3-methoxybenzaldehyde?
The InChIKey is QGVAHYLWRSOAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClO4/c1-13-4-6-15(19)17(10-13)23-9-3-8-22-16-7-5-14(12-20)11-18(16)21-2/h4-7,10-12H,3,8-9H2,1-2H3.
What are the key properties of 4-[3-(2-chloro-5-methylphenoxy)propoxy]-3-methoxybenzaldehyde?
4-[3-(2-chloro-5-methylphenoxy)propoxy]-3-methoxybenzaldehyde has a molecular weight of 334.80 g/mol, XLogP of 4.32, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-chloro-5-methylphenoxy)propoxy]-3-methoxybenzaldehyde is sourced from PubChem (CID 2292017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).