(3-chlorophenyl)methyl 3-(2,3-dimethoxyphenyl)propanoate

C18H19ClO4 — CID 55368923

IUPAC(3-chlorophenyl)methyl 3-(2,3-dimethoxyphenyl)propanoate
SMILESCOc1cccc(CCC(=O)OCc2cccc(Cl)c2)c1OC
InChIInChI=1S/C18H19ClO4/c1-21-16-8-4-6-14(18(16)22-2)9-10-17(20)23-12-13-5-3-7-15(19)11-13/h3-8,11H,9-10,12H2,1-2H3
InChIKeySYOXXCKAGNVFKA-UHFFFAOYSA-N
MW334.80 g/mol
LogP4.03
Rot. Bonds7

About (3-chlorophenyl)methyl 3-(2,3-dimethoxyphenyl)propanoate

(3-chlorophenyl)methyl 3-(2,3-dimethoxyphenyl)propanoate (PubChem CID 55368923) has the molecular formula C18H19ClO4 and a molecular weight of 334.80 g/mol. Its IUPAC name is (3-chlorophenyl)methyl 3-(2,3-dimethoxyphenyl)propanoate.

Molecular Properties

Compound Name(3-chlorophenyl)methyl 3-(2,3-dimethoxyphenyl)propanoate
PubChem CID55368923
Molecular FormulaC18H19ClO4
Molecular Weight334.80 g/mol
Exact Mass334.10
IUPAC Name(3-chlorophenyl)methyl 3-(2,3-dimethoxyphenyl)propanoate
SMILESCOc1cccc(CCC(=O)OCc2cccc(Cl)c2)c1OC
InChIInChI=1S/C18H19ClO4/c1-21-16-8-4-6-14(18(16)22-2)9-10-17(20)23-12-13-5-3-7-15(19)11-13/h3-8,11H,9-10,12H2,1-2H3
InChIKeySYOXXCKAGNVFKA-UHFFFAOYSA-N
XLogP4.03
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(trifluoromethyl)phenyl]methyl 3-(2,3-dimethoxyphenyl)propanoate
CID 55368745
(6-chloro-3-pyridinyl)methyl 3-(2,3-dimethoxyphenyl)propanoate
CID 55546324
2-phenylethyl 3-(2,3-dimethoxyphenyl)propanoate
CID 66702130
2-hydroxyethyl 3-(2,3-dimethoxyphenyl)propanoate
CID 55563336
(3-methyl-1,2-oxazol-5-yl)methyl 3-(2,3-dimethoxyphenyl)propanoate
CID 55445109
(3-chlorophenyl)methyl 2-methoxyacetate
CID 142607419
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
CID 8019120
bis[(3-chlorophenyl)methyl] carbonate
CID 44719399
1-amino-4-(2,3-dimethoxyphenyl)butan-2-one;hydrochloride
CID 67393300
[2-oxo-2-(pentylamino)ethyl] 3-(2,3-dimethoxyphenyl)propanoate
CID 55404179
[2-oxo-2-(4-propan-2-ylphenyl)ethyl] 3-(2,3-dimethoxyphenyl)propanoate
CID 55368657
(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl 3-(2,3-dimethoxyphenyl)propanoate
CID 55556224

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)methyl 3-(2,3-dimethoxyphenyl)propanoate?
The IUPAC name of (3-chlorophenyl)methyl 3-(2,3-dimethoxyphenyl)propanoate (CID 55368923) is (3-chlorophenyl)methyl 3-(2,3-dimethoxyphenyl)propanoate.
What is the SMILES notation for (3-chlorophenyl)methyl 3-(2,3-dimethoxyphenyl)propanoate?
The canonical SMILES for (3-chlorophenyl)methyl 3-(2,3-dimethoxyphenyl)propanoate is COc1cccc(CCC(=O)OCc2cccc(Cl)c2)c1OC.
What is the InChIKey of (3-chlorophenyl)methyl 3-(2,3-dimethoxyphenyl)propanoate?
The InChIKey is SYOXXCKAGNVFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClO4/c1-21-16-8-4-6-14(18(16)22-2)9-10-17(20)23-12-13-5-3-7-15(19)11-13/h3-8,11H,9-10,12H2,1-2H3.
What are the key properties of (3-chlorophenyl)methyl 3-(2,3-dimethoxyphenyl)propanoate?
(3-chlorophenyl)methyl 3-(2,3-dimethoxyphenyl)propanoate has a molecular weight of 334.80 g/mol, XLogP of 4.03, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)methyl 3-(2,3-dimethoxyphenyl)propanoate is sourced from PubChem (CID 55368923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).