4-[(2,6-dichlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylbenzaldehyde

C19H18Cl2O3 — CID 4767250

IUPAC4-[(2,6-dichlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylbenzaldehyde
SMILESC=CCc1cc(C=O)cc(OCC)c1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C19H18Cl2O3/c1-3-6-14-9-13(11-22)10-18(23-4-2)19(14)24-12-15-16(20)7-5-8-17(15)21/h3,5,7-11H,1,4,6,12H2,2H3
InChIKeyNQHUSSWEWZSNAK-UHFFFAOYSA-N
MW365.26 g/mol
LogP5.51
Rot. Bonds8

About 4-[(2,6-dichlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylbenzaldehyde

4-[(2,6-dichlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylbenzaldehyde (PubChem CID 4767250) has the molecular formula C19H18Cl2O3 and a molecular weight of 365.26 g/mol. Its IUPAC name is 4-[(2,6-dichlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylbenzaldehyde.

Molecular Properties

Compound Name4-[(2,6-dichlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylbenzaldehyde
PubChem CID4767250
Molecular FormulaC19H18Cl2O3
Molecular Weight365.26 g/mol
Exact Mass364.06
IUPAC Name4-[(2,6-dichlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylbenzaldehyde
SMILESC=CCc1cc(C=O)cc(OCC)c1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C19H18Cl2O3/c1-3-6-14-9-13(11-22)10-18(23-4-2)19(14)24-12-15-16(20)7-5-8-17(15)21/h3,5,7-11H,1,4,6,12H2,2H3
InChIKeyNQHUSSWEWZSNAK-UHFFFAOYSA-N
XLogP5.51
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.26
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-butoxy-3-ethoxy-5-prop-2-enylbenzaldehyde
CID 54849624
4-[(2-ethoxy-4-formyl-6-prop-2-enylphenoxy)methyl]benzoic acid
CID 21211275
3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxybenzaldehyde
CID 883200
(E)-3-[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylphenyl]-2-(4-methylphenyl)prop-2-enenitrile
CID 21375266
(5E)-1-(3-chlorophenyl)-5-[[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylphenyl]methylidene]-1,3-diazinane-2,4,6-trione
CID 126081427
3-[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylphenyl]-2-(3-nitrophenyl)prop-2-enenitrile
CID 3376123
(5E)-3-[(2R)-butan-2-yl]-5-[[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylphenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 126027523
3-chloro-5-ethoxy-4-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]benzaldehyde
CID 2228014
2-[(4-formyl-2-methoxy-6-prop-2-enylphenoxy)methyl]benzonitrile
CID 882546
(5E)-5-[[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylphenyl]methylidene]-1-(3-fluorophenyl)-1,3-diazinane-2,4,6-trione
CID 6079122
(5E)-1-(3-chloro-2-methylphenyl)-5-[[3-ethoxy-4-[(4-fluorophenyl)methoxy]-5-prop-2-enylphenyl]methylidene]-1,3-diazinane-2,4,6-trione
CID 126075136
5-[(3-ethoxy-4-phenylmethoxy-5-prop-2-enylphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 126073284

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dichlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylbenzaldehyde?
The IUPAC name of 4-[(2,6-dichlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylbenzaldehyde (CID 4767250) is 4-[(2,6-dichlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylbenzaldehyde.
What is the SMILES notation for 4-[(2,6-dichlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylbenzaldehyde?
The canonical SMILES for 4-[(2,6-dichlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylbenzaldehyde is C=CCc1cc(C=O)cc(OCC)c1OCc1c(Cl)cccc1Cl.
What is the InChIKey of 4-[(2,6-dichlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylbenzaldehyde?
The InChIKey is NQHUSSWEWZSNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2O3/c1-3-6-14-9-13(11-22)10-18(23-4-2)19(14)24-12-15-16(20)7-5-8-17(15)21/h3,5,7-11H,1,4,6,12H2,2H3.
What are the key properties of 4-[(2,6-dichlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylbenzaldehyde?
4-[(2,6-dichlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylbenzaldehyde has a molecular weight of 365.26 g/mol, XLogP of 5.51, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dichlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylbenzaldehyde is sourced from PubChem (CID 4767250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).