methyl 4-[(4-chloro-2-methylphenoxy)methyl]benzoate

C16H15ClO3 — CID 28825626

IUPACmethyl 4-[(4-chloro-2-methylphenoxy)methyl]benzoate
SMILESCOC(=O)c1ccc(COc2ccc(Cl)cc2C)cc1
InChIInChI=1S/C16H15ClO3/c1-11-9-14(17)7-8-15(11)20-10-12-3-5-13(6-4-12)16(18)19-2/h3-9H,10H2,1-2H3
InChIKeyWFVJUFMEPFTHEY-UHFFFAOYSA-N
MW290.75 g/mol
LogP4.01
Rot. Bonds4

About methyl 4-[(4-chloro-2-methylphenoxy)methyl]benzoate

methyl 4-[(4-chloro-2-methylphenoxy)methyl]benzoate (PubChem CID 28825626) has the molecular formula C16H15ClO3 and a molecular weight of 290.75 g/mol. Its IUPAC name is methyl 4-[(4-chloro-2-methylphenoxy)methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(4-chloro-2-methylphenoxy)methyl]benzoate
PubChem CID28825626
Molecular FormulaC16H15ClO3
Molecular Weight290.75 g/mol
Exact Mass290.07
IUPAC Namemethyl 4-[(4-chloro-2-methylphenoxy)methyl]benzoate
SMILESCOC(=O)c1ccc(COc2ccc(Cl)cc2C)cc1
InChIInChI=1S/C16H15ClO3/c1-11-9-14(17)7-8-15(11)20-10-12-3-5-13(6-4-12)16(18)19-2/h3-9H,10H2,1-2H3
InChIKeyWFVJUFMEPFTHEY-UHFFFAOYSA-N
XLogP4.01
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 ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-amino-3-[(4-chlorophenyl)methoxy]benzoate
CID 43380184
5-[(4-chloro-2-methylphenoxy)methyl]-2-methoxybenzoic acid
CID 65339281
methyl 4-[(5-chloro-2-methylphenyl)methyl]benzoate
CID 142860305
2-[4-[(4-chlorophenyl)methoxy]-3-methylphenyl]acetic acid
CID 82051602
methyl 4-fluoro-3-[(4-fluorophenyl)methoxy]benzoate
CID 86725638
methyl 4-[(4-amino-2-fluorophenoxy)methyl]benzoate
CID 43259245
[4-[(4-chloro-2-methylphenoxy)methyl]phenyl]-trimethylsilane
CID 103438613
ethane;methyl 4-[(5-chloro-2-methylphenyl)methyl]benzoate
CID 142860304
ethyl 3-[(4-chlorophenyl)methoxy]-4-methoxybenzoate
CID 91681694
3-methyl-4-phenylmethoxybenzoyl chloride
CID 18995347
3-[(4-chlorophenyl)methoxy]-4-methylbenzoic acid
CID 45311750
1-[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]ethanone
CID 65125936

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-chloro-2-methylphenoxy)methyl]benzoate?
The IUPAC name of methyl 4-[(4-chloro-2-methylphenoxy)methyl]benzoate (CID 28825626) is methyl 4-[(4-chloro-2-methylphenoxy)methyl]benzoate.
What is the SMILES notation for methyl 4-[(4-chloro-2-methylphenoxy)methyl]benzoate?
The canonical SMILES for methyl 4-[(4-chloro-2-methylphenoxy)methyl]benzoate is COC(=O)c1ccc(COc2ccc(Cl)cc2C)cc1.
What is the InChIKey of methyl 4-[(4-chloro-2-methylphenoxy)methyl]benzoate?
The InChIKey is WFVJUFMEPFTHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO3/c1-11-9-14(17)7-8-15(11)20-10-12-3-5-13(6-4-12)16(18)19-2/h3-9H,10H2,1-2H3.
What are the key properties of methyl 4-[(4-chloro-2-methylphenoxy)methyl]benzoate?
methyl 4-[(4-chloro-2-methylphenoxy)methyl]benzoate has a molecular weight of 290.75 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-chloro-2-methylphenoxy)methyl]benzoate is sourced from PubChem (CID 28825626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).