methyl 4-(2-chloro-4-formylphenoxy)-3,5-dimethoxybenzoate

C17H15ClO6 — CID 167057664

IUPACmethyl 4-(2-chloro-4-formylphenoxy)-3,5-dimethoxybenzoate
SMILESCOC(=O)c1cc(OC)c(Oc2ccc(C=O)cc2Cl)c(OC)c1
InChIInChI=1S/C17H15ClO6/c1-21-14-7-11(17(20)23-3)8-15(22-2)16(14)24-13-5-4-10(9-19)6-12(13)18/h4-9H,1-3H3
InChIKeyGMZINYLRIVOJAZ-UHFFFAOYSA-N
MW350.75 g/mol
LogP3.75
Rot. Bonds6

About methyl 4-(2-chloro-4-formylphenoxy)-3,5-dimethoxybenzoate

methyl 4-(2-chloro-4-formylphenoxy)-3,5-dimethoxybenzoate (PubChem CID 167057664) has the molecular formula C17H15ClO6 and a molecular weight of 350.75 g/mol. Its IUPAC name is methyl 4-(2-chloro-4-formylphenoxy)-3,5-dimethoxybenzoate.

Molecular Properties

Compound Namemethyl 4-(2-chloro-4-formylphenoxy)-3,5-dimethoxybenzoate
PubChem CID167057664
Molecular FormulaC17H15ClO6
Molecular Weight350.75 g/mol
Exact Mass350.06
IUPAC Namemethyl 4-(2-chloro-4-formylphenoxy)-3,5-dimethoxybenzoate
SMILESCOC(=O)c1cc(OC)c(Oc2ccc(C=O)cc2Cl)c(OC)c1
InChIInChI=1S/C17H15ClO6/c1-21-14-7-11(17(20)23-3)8-15(22-2)16(14)24-13-5-4-10(9-19)6-12(13)18/h4-9H,1-3H3
InChIKeyGMZINYLRIVOJAZ-UHFFFAOYSA-N
XLogP3.75
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.75
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(2-chloro-4-formylphenoxy)pyridine-4-carboxylate
CID 71668878
3-chloro-4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 101137815
methyl 3-methoxy-4-(2,4,6-trichlorophenoxy)benzoate
CID 131879057
methyl 4-(2-chloro-4-methoxyphenoxy)-3,5-diiodobenzoate
CID 15462368
dimethyl 5-formylbenzene-1,3-dicarboxylate
CID 15183982
(4-formylphenyl) 3,4,5-trimethoxybenzoate
CID 780699
(4-formyl-2,6-dimethoxyphenyl) 3,4-dimethoxybenzoate
CID 820014
methyl 1-chloro-5-methoxyisoquinoline-7-carboxylate
CID 170744620
methyl (2R)-2-(2-chloro-4-formyl-6-methoxyphenoxy)propanoate
CID 42573597
(4-formyl-2,6-dimethoxyphenyl) 4-chlorobenzoate
CID 820015
2-(2-chloro-4-formyl-6-methoxyphenoxy)acetic acid
CID 957945
methyl 3-hydroxy-5-methoxy-4-(2-methoxyphenoxy)benzoate
CID 10040701

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-chloro-4-formylphenoxy)-3,5-dimethoxybenzoate?
The IUPAC name of methyl 4-(2-chloro-4-formylphenoxy)-3,5-dimethoxybenzoate (CID 167057664) is methyl 4-(2-chloro-4-formylphenoxy)-3,5-dimethoxybenzoate.
What is the SMILES notation for methyl 4-(2-chloro-4-formylphenoxy)-3,5-dimethoxybenzoate?
The canonical SMILES for methyl 4-(2-chloro-4-formylphenoxy)-3,5-dimethoxybenzoate is COC(=O)c1cc(OC)c(Oc2ccc(C=O)cc2Cl)c(OC)c1.
What is the InChIKey of methyl 4-(2-chloro-4-formylphenoxy)-3,5-dimethoxybenzoate?
The InChIKey is GMZINYLRIVOJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClO6/c1-21-14-7-11(17(20)23-3)8-15(22-2)16(14)24-13-5-4-10(9-19)6-12(13)18/h4-9H,1-3H3.
What are the key properties of methyl 4-(2-chloro-4-formylphenoxy)-3,5-dimethoxybenzoate?
methyl 4-(2-chloro-4-formylphenoxy)-3,5-dimethoxybenzoate has a molecular weight of 350.75 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-chloro-4-formylphenoxy)-3,5-dimethoxybenzoate is sourced from PubChem (CID 167057664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).