anisole;methyl 4-methoxybenzoate

C16H18O4 — CID 158093995

IUPACanisole;methyl 4-methoxybenzoate
SMILESCOC(=O)c1ccc(OC)cc1.COc1ccccc1
InChIInChI=1S/C9H10O3.C7H8O/c1-11-8-5-3-7(4-6-8)9(10)12-2;1-8-7-5-3-2-4-6-7/h3-6H,1-2H3;2-6H,1H3
InChIKeyFOLIRGJJDRRWEF-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.18
Rot. Bonds3

About anisole;methyl 4-methoxybenzoate

anisole;methyl 4-methoxybenzoate (PubChem CID 158093995) has the molecular formula C16H18O4 and a molecular weight of 274.32 g/mol. Its IUPAC name is anisole;methyl 4-methoxybenzoate.

Molecular Properties

Compound Nameanisole;methyl 4-methoxybenzoate
PubChem CID158093995
Molecular FormulaC16H18O4
Molecular Weight274.32 g/mol
Exact Mass274.12
IUPAC Nameanisole;methyl 4-methoxybenzoate
SMILESCOC(=O)c1ccc(OC)cc1.COc1ccccc1
InChIInChI=1S/C9H10O3.C7H8O/c1-11-8-5-3-7(4-6-8)9(10)12-2;1-8-7-5-3-2-4-6-7/h3-6H,1-2H3;2-6H,1H3
InChIKeyFOLIRGJJDRRWEF-UHFFFAOYSA-N
XLogP3.18
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[4-(4-methoxyphenoxy)phenoxy]benzoate
CID 10315855
formic acid;methyl 4-methoxybenzoate
CID 159779883
(4-methoxycarbonylphenyl) 4-phenoxybenzoate
CID 2677999
[4-(4-phenoxycarbonyloxyphenoxy)carbonylphenyl] 4-methoxybenzoate
CID 144750294
methyl 4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]benzoate
CID 77432563
methyl benzoate;hydrate
CID 141218240
CID 157228504
CID 157228504
methyl 4-(4-phenylphenoxy)benzoate
CID 15230373
methyl 4-[2-(4-methoxyphenyl)propan-2-yl]benzoate
CID 122488284
ethane;methoxymethane;methyl benzoate
CID 90999424
methyl 4-diphenylboranylbenzoate
CID 174031227
methyl 4-[(4-methoxyphenyl)carbamoyl]benzoate
CID 7733773

Frequently Asked Questions

What is the IUPAC name of anisole;methyl 4-methoxybenzoate?
The IUPAC name of anisole;methyl 4-methoxybenzoate (CID 158093995) is anisole;methyl 4-methoxybenzoate.
What is the SMILES notation for anisole;methyl 4-methoxybenzoate?
The canonical SMILES for anisole;methyl 4-methoxybenzoate is COC(=O)c1ccc(OC)cc1.COc1ccccc1.
What is the InChIKey of anisole;methyl 4-methoxybenzoate?
The InChIKey is FOLIRGJJDRRWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3.C7H8O/c1-11-8-5-3-7(4-6-8)9(10)12-2;1-8-7-5-3-2-4-6-7/h3-6H,1-2H3;2-6H,1H3.
What are the key properties of anisole;methyl 4-methoxybenzoate?
anisole;methyl 4-methoxybenzoate has a molecular weight of 274.32 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for anisole;methyl 4-methoxybenzoate is sourced from PubChem (CID 158093995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).