phenacyl 4-[(2-chlorophenyl)methoxy]-3-methoxybenzoate

C23H19ClO5 — CID 2454304

IUPACphenacyl 4-[(2-chlorophenyl)methoxy]-3-methoxybenzoate
SMILESCOc1cc(C(=O)OCC(=O)c2ccccc2)ccc1OCc1ccccc1Cl
InChIInChI=1S/C23H19ClO5/c1-27-22-13-17(23(26)29-15-20(25)16-7-3-2-4-8-16)11-12-21(22)28-14-18-9-5-6-10-19(18)24/h2-13H,14-15H2,1H3
InChIKeyKFQHLDQEAKJWEO-UHFFFAOYSA-N
MW410.85 g/mol
LogP4.97
Rot. Bonds8

About phenacyl 4-[(2-chlorophenyl)methoxy]-3-methoxybenzoate

phenacyl 4-[(2-chlorophenyl)methoxy]-3-methoxybenzoate (PubChem CID 2454304) has the molecular formula C23H19ClO5 and a molecular weight of 410.85 g/mol. Its IUPAC name is phenacyl 4-[(2-chlorophenyl)methoxy]-3-methoxybenzoate.

Molecular Properties

Compound Namephenacyl 4-[(2-chlorophenyl)methoxy]-3-methoxybenzoate
PubChem CID2454304
Molecular FormulaC23H19ClO5
Molecular Weight410.85 g/mol
Exact Mass410.09
IUPAC Namephenacyl 4-[(2-chlorophenyl)methoxy]-3-methoxybenzoate
SMILESCOc1cc(C(=O)OCC(=O)c2ccccc2)ccc1OCc1ccccc1Cl
InChIInChI=1S/C23H19ClO5/c1-27-22-13-17(23(26)29-15-20(25)16-7-3-2-4-8-16)11-12-21(22)28-14-18-9-5-6-10-19(18)24/h2-13H,14-15H2,1H3
InChIKeyKFQHLDQEAKJWEO-UHFFFAOYSA-N
XLogP4.97
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.85
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-oxo-2-pyrrolidin-1-ylethyl) 4-[(2-chlorophenyl)methoxy]-3-methoxybenzoate
CID 2600506
[2-(2-methylpropylamino)-2-oxoethyl] 4-[(2-chlorophenyl)methoxy]-3-methoxybenzoate
CID 2600417
[2-(2-methylanilino)-2-oxoethyl] 4-[(2-chlorophenyl)methoxy]-3-methoxybenzoate
CID 42964823
[2-(4-acetylanilino)-2-oxoethyl] 4-[(2-chlorophenyl)methoxy]-3-methoxybenzoate
CID 2119534
[2-(2-cyanoethylamino)-2-oxoethyl] 4-[(2-chlorophenyl)methoxy]-3-methoxybenzoate
CID 42984687
3-cyanopropyl 4-[(2-chlorophenyl)methoxy]-3-methoxybenzoate
CID 24530110
4-[(2-chlorophenyl)methoxy]-3-methoxy-N,N-dimethylbenzamide
CID 7780134
[2-(4-fluorophenyl)-2-oxoethyl] 2-[(2-chlorophenyl)methoxy]benzoate
CID 23904435
[2-oxo-2-(4-phenylphenyl)ethyl] 4-butoxy-3-methoxybenzoate
CID 5183525
phenacyl 3-chloro-4-methoxy-5-phenylmethoxybenzoate
CID 5034829
2-amino-5-[(2-chlorophenyl)methoxy]-4-methoxybenzoic acid
CID 43380062
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 7811094

Frequently Asked Questions

What is the IUPAC name of phenacyl 4-[(2-chlorophenyl)methoxy]-3-methoxybenzoate?
The IUPAC name of phenacyl 4-[(2-chlorophenyl)methoxy]-3-methoxybenzoate (CID 2454304) is phenacyl 4-[(2-chlorophenyl)methoxy]-3-methoxybenzoate.
What is the SMILES notation for phenacyl 4-[(2-chlorophenyl)methoxy]-3-methoxybenzoate?
The canonical SMILES for phenacyl 4-[(2-chlorophenyl)methoxy]-3-methoxybenzoate is COc1cc(C(=O)OCC(=O)c2ccccc2)ccc1OCc1ccccc1Cl.
What is the InChIKey of phenacyl 4-[(2-chlorophenyl)methoxy]-3-methoxybenzoate?
The InChIKey is KFQHLDQEAKJWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClO5/c1-27-22-13-17(23(26)29-15-20(25)16-7-3-2-4-8-16)11-12-21(22)28-14-18-9-5-6-10-19(18)24/h2-13H,14-15H2,1H3.
What are the key properties of phenacyl 4-[(2-chlorophenyl)methoxy]-3-methoxybenzoate?
phenacyl 4-[(2-chlorophenyl)methoxy]-3-methoxybenzoate has a molecular weight of 410.85 g/mol, XLogP of 4.97, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenacyl 4-[(2-chlorophenyl)methoxy]-3-methoxybenzoate is sourced from PubChem (CID 2454304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).