methyl 3-methoxy-5-phenylbenzoate

C15H14O3 — CID 71086676

IUPACmethyl 3-methoxy-5-phenylbenzoate
SMILESCOC(=O)c1cc(OC)cc(-c2ccccc2)c1
InChIInChI=1S/C15H14O3/c1-17-14-9-12(11-6-4-3-5-7-11)8-13(10-14)15(16)18-2/h3-10H,1-2H3
InChIKeyCSLNVBDENFRIBI-UHFFFAOYSA-N
MW242.27 g/mol
LogP3.15
Rot. Bonds3

About methyl 3-methoxy-5-phenylbenzoate

methyl 3-methoxy-5-phenylbenzoate (PubChem CID 71086676) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is methyl 3-methoxy-5-phenylbenzoate.

Molecular Properties

Compound Namemethyl 3-methoxy-5-phenylbenzoate
PubChem CID71086676
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Namemethyl 3-methoxy-5-phenylbenzoate
SMILESCOC(=O)c1cc(OC)cc(-c2ccccc2)c1
InChIInChI=1S/C15H14O3/c1-17-14-9-12(11-6-4-3-5-7-11)8-13(10-14)15(16)18-2/h3-10H,1-2H3
InChIKeyCSLNVBDENFRIBI-UHFFFAOYSA-N
XLogP3.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(3,5-dichlorophenyl)-5-methoxybenzoate
CID 75488427
1,3-dimethoxy-5-phenylbenzene
CID 11469945
methyl 3-formyl-5-phenylbenzoate
CID 88561174
methyl 2-phenylazulene-6-carboxylate
CID 23257786
methyl 3-[4-(3,5-ditert-butylphenoxy)butoxy]-5-phenylbenzoate
CID 156599569
dimethyl 5-(4-methoxycarbonylphenyl)benzene-1,3-dicarboxylate
CID 118103022
methyl 3,5-bis[3-(4-phenylphenoxy)propoxy]benzoate
CID 15233464
dimethyl 5-[3-(4-methylphenyl)phenyl]benzene-1,3-dicarboxylate
CID 15533553
anisole;methyl 4-methoxybenzoate
CID 158093995
methyl 4-(4-phenylphenoxy)benzoate
CID 15230373
3-methoxy-5-(2-methyl-5-phenylphenyl)benzoic acid
CID 57248171
3-(3-aminophenyl)-5-methoxybenzoic acid
CID 53224920

Frequently Asked Questions

What is the IUPAC name of methyl 3-methoxy-5-phenylbenzoate?
The IUPAC name of methyl 3-methoxy-5-phenylbenzoate (CID 71086676) is methyl 3-methoxy-5-phenylbenzoate.
What is the SMILES notation for methyl 3-methoxy-5-phenylbenzoate?
The canonical SMILES for methyl 3-methoxy-5-phenylbenzoate is COC(=O)c1cc(OC)cc(-c2ccccc2)c1.
What is the InChIKey of methyl 3-methoxy-5-phenylbenzoate?
The InChIKey is CSLNVBDENFRIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c1-17-14-9-12(11-6-4-3-5-7-11)8-13(10-14)15(16)18-2/h3-10H,1-2H3.
What are the key properties of methyl 3-methoxy-5-phenylbenzoate?
methyl 3-methoxy-5-phenylbenzoate has a molecular weight of 242.27 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methoxy-5-phenylbenzoate is sourced from PubChem (CID 71086676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).