methyl 4-[(3-chlorophenyl)methoxy]-3-methylbenzoate

C16H15ClO3 — CID 44570903

IUPACmethyl 4-[(3-chlorophenyl)methoxy]-3-methylbenzoate
SMILESCOC(=O)c1ccc(OCc2cccc(Cl)c2)c(C)c1
InChIInChI=1S/C16H15ClO3/c1-11-8-13(16(18)19-2)6-7-15(11)20-10-12-4-3-5-14(17)9-12/h3-9H,10H2,1-2H3
InChIKeySYGYJSNUJTVQQT-UHFFFAOYSA-N
MW290.75 g/mol
LogP4.01
Rot. Bonds4

About methyl 4-[(3-chlorophenyl)methoxy]-3-methylbenzoate

methyl 4-[(3-chlorophenyl)methoxy]-3-methylbenzoate (PubChem CID 44570903) has the molecular formula C16H15ClO3 and a molecular weight of 290.75 g/mol. Its IUPAC name is methyl 4-[(3-chlorophenyl)methoxy]-3-methylbenzoate.

Molecular Properties

Compound Namemethyl 4-[(3-chlorophenyl)methoxy]-3-methylbenzoate
PubChem CID44570903
Molecular FormulaC16H15ClO3
Molecular Weight290.75 g/mol
Exact Mass290.07
IUPAC Namemethyl 4-[(3-chlorophenyl)methoxy]-3-methylbenzoate
SMILESCOC(=O)c1ccc(OCc2cccc(Cl)c2)c(C)c1
InChIInChI=1S/C16H15ClO3/c1-11-8-13(16(18)19-2)6-7-15(11)20-10-12-4-3-5-14(17)9-12/h3-9H,10H2,1-2H3
InChIKeySYGYJSNUJTVQQT-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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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(3-chlorophenyl)methoxy]-3-methylbenzoate?
The IUPAC name of methyl 4-[(3-chlorophenyl)methoxy]-3-methylbenzoate (CID 44570903) is methyl 4-[(3-chlorophenyl)methoxy]-3-methylbenzoate.
What is the SMILES notation for methyl 4-[(3-chlorophenyl)methoxy]-3-methylbenzoate?
The canonical SMILES for methyl 4-[(3-chlorophenyl)methoxy]-3-methylbenzoate is COC(=O)c1ccc(OCc2cccc(Cl)c2)c(C)c1.
What is the InChIKey of methyl 4-[(3-chlorophenyl)methoxy]-3-methylbenzoate?
The InChIKey is SYGYJSNUJTVQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO3/c1-11-8-13(16(18)19-2)6-7-15(11)20-10-12-4-3-5-14(17)9-12/h3-9H,10H2,1-2H3.
What are the key properties of methyl 4-[(3-chlorophenyl)methoxy]-3-methylbenzoate?
methyl 4-[(3-chlorophenyl)methoxy]-3-methylbenzoate 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-[(3-chlorophenyl)methoxy]-3-methylbenzoate is sourced from PubChem (CID 44570903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).