methyl 3-chloro-2-[(4-methoxyphenyl)methyl]benzoate

C16H15ClO3 — CID 134964677

IUPACmethyl 3-chloro-2-[(4-methoxyphenyl)methyl]benzoate
SMILESCOC(=O)c1cccc(Cl)c1Cc1ccc(OC)cc1
InChIInChI=1S/C16H15ClO3/c1-19-12-8-6-11(7-9-12)10-14-13(16(18)20-2)4-3-5-15(14)17/h3-9H,10H2,1-2H3
InChIKeyQCGDFFIVJVLYGD-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.73
Rot. Bonds4

About methyl 3-chloro-2-[(4-methoxyphenyl)methyl]benzoate

methyl 3-chloro-2-[(4-methoxyphenyl)methyl]benzoate (PubChem CID 134964677) has the molecular formula C16H15ClO3 and a molecular weight of 290.75 g/mol. Its IUPAC name is methyl 3-chloro-2-[(4-methoxyphenyl)methyl]benzoate.

Molecular Properties

Compound Namemethyl 3-chloro-2-[(4-methoxyphenyl)methyl]benzoate
PubChem CID134964677
Molecular FormulaC16H15ClO3
Molecular Weight290.75 g/mol
Exact Mass290.07
IUPAC Namemethyl 3-chloro-2-[(4-methoxyphenyl)methyl]benzoate
SMILESCOC(=O)c1cccc(Cl)c1Cc1ccc(OC)cc1
InChIInChI=1S/C16H15ClO3/c1-19-12-8-6-11(7-9-12)10-14-13(16(18)20-2)4-3-5-15(14)17/h3-9H,10H2,1-2H3
InChIKeyQCGDFFIVJVLYGD-UHFFFAOYSA-N
XLogP3.73
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[2-(4-methoxyphenyl)acetyl]benzoate
CID 14946047
methyl 2-(bromomethyl)-3-chlorobenzoate;methyl 3-chloro-2-methylbenzoate
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dimethyl 2-propylbenzene-1,3-dicarboxylate
CID 131888710
2-benzyl-3-chlorobenzamide
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methyl 2-amino-3-(4-methoxybenzoyl)benzoate
CID 18694348
methyl 2-[(2-chlorophenyl)methoxy]-4-methoxybenzoate
CID 25235977
methyl 2-[2-(4-methoxyphenyl)acetyl]oxy-3-methylbenzoate
CID 53243231
1-(2,6-dichlorophenyl)-3-[(4-methoxyphenyl)methyl]urea
CID 3407219
methyl 2-[(4-methoxyphenyl)methyl-methylamino]benzoate
CID 62028058
2-chloro-N-[5-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]benzamide
CID 43836464
2-(2-chloro-6-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
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CID 165461108

Frequently Asked Questions

What is the IUPAC name of methyl 3-chloro-2-[(4-methoxyphenyl)methyl]benzoate?
The IUPAC name of methyl 3-chloro-2-[(4-methoxyphenyl)methyl]benzoate (CID 134964677) is methyl 3-chloro-2-[(4-methoxyphenyl)methyl]benzoate.
What is the SMILES notation for methyl 3-chloro-2-[(4-methoxyphenyl)methyl]benzoate?
The canonical SMILES for methyl 3-chloro-2-[(4-methoxyphenyl)methyl]benzoate is COC(=O)c1cccc(Cl)c1Cc1ccc(OC)cc1.
What is the InChIKey of methyl 3-chloro-2-[(4-methoxyphenyl)methyl]benzoate?
The InChIKey is QCGDFFIVJVLYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO3/c1-19-12-8-6-11(7-9-12)10-14-13(16(18)20-2)4-3-5-15(14)17/h3-9H,10H2,1-2H3.
What are the key properties of methyl 3-chloro-2-[(4-methoxyphenyl)methyl]benzoate?
methyl 3-chloro-2-[(4-methoxyphenyl)methyl]benzoate has a molecular weight of 290.75 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-chloro-2-[(4-methoxyphenyl)methyl]benzoate is sourced from PubChem (CID 134964677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).