methyl 4-[2-(4-methoxyphenyl)propan-2-yl]benzoate

C18H20O3 — CID 122488284

IUPACmethyl 4-[2-(4-methoxyphenyl)propan-2-yl]benzoate
SMILESCOC(=O)c1ccc(C(C)(C)c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H20O3/c1-18(2,15-9-11-16(20-3)12-10-15)14-7-5-13(6-8-14)17(19)21-4/h5-12H,1-4H3
InChIKeyOXLILRADBYROHN-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.81
Rot. Bonds4

About methyl 4-[2-(4-methoxyphenyl)propan-2-yl]benzoate

methyl 4-[2-(4-methoxyphenyl)propan-2-yl]benzoate (PubChem CID 122488284) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is methyl 4-[2-(4-methoxyphenyl)propan-2-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-(4-methoxyphenyl)propan-2-yl]benzoate
PubChem CID122488284
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Namemethyl 4-[2-(4-methoxyphenyl)propan-2-yl]benzoate
SMILESCOC(=O)c1ccc(C(C)(C)c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H20O3/c1-18(2,15-9-11-16(20-3)12-10-15)14-7-5-13(6-8-14)17(19)21-4/h5-12H,1-4H3
InChIKeyOXLILRADBYROHN-UHFFFAOYSA-N
XLogP3.81
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;terephthalic acid
CID 22421309
methyl 4-[4-(4-methoxyphenoxy)phenoxy]benzoate
CID 10315855
formic acid;methyl 4-methoxybenzoate
CID 159779883
anisole;methyl 4-methoxybenzoate
CID 158093995
methyl 4-[1,2-dihydroxy-1-(4-methoxyphenyl)propan-2-yl]benzoate
CID 177460702
methyl 4-[2-(hydroxyamino)propan-2-yl]benzoate
CID 10330711
methyl 4-[(4-methoxyphenyl)carbamoyl]benzoate
CID 7733773
methyl 4-[(2R,3R)-2,3-dihydroxy-3-(4-methoxycarbonylphenyl)butan-2-yl]benzoate
CID 11132081
[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate
CID 22947159
methyl 4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]benzoate
CID 77432563
[4-[2-(4-methoxycarbonylphenyl)propan-2-yl]phenyl]methylphosphonic acid
CID 66841765
methyl 4-(2-aminopropan-2-yl)benzoate;hydrochloride
CID 75365746

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(4-methoxyphenyl)propan-2-yl]benzoate?
The IUPAC name of methyl 4-[2-(4-methoxyphenyl)propan-2-yl]benzoate (CID 122488284) is methyl 4-[2-(4-methoxyphenyl)propan-2-yl]benzoate.
What is the SMILES notation for methyl 4-[2-(4-methoxyphenyl)propan-2-yl]benzoate?
The canonical SMILES for methyl 4-[2-(4-methoxyphenyl)propan-2-yl]benzoate is COC(=O)c1ccc(C(C)(C)c2ccc(OC)cc2)cc1.
What is the InChIKey of methyl 4-[2-(4-methoxyphenyl)propan-2-yl]benzoate?
The InChIKey is OXLILRADBYROHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-18(2,15-9-11-16(20-3)12-10-15)14-7-5-13(6-8-14)17(19)21-4/h5-12H,1-4H3.
What are the key properties of methyl 4-[2-(4-methoxyphenyl)propan-2-yl]benzoate?
methyl 4-[2-(4-methoxyphenyl)propan-2-yl]benzoate has a molecular weight of 284.36 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(4-methoxyphenyl)propan-2-yl]benzoate is sourced from PubChem (CID 122488284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).