methyl 4-[1-(4-methoxyphenyl)propan-2-yloxy]benzoate

C18H20O4 — CID 86053961

IUPACmethyl 4-[1-(4-methoxyphenyl)propan-2-yloxy]benzoate
SMILESCOC(=O)c1ccc(OC(C)Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C18H20O4/c1-13(12-14-4-8-16(20-2)9-5-14)22-17-10-6-15(7-11-17)18(19)21-3/h4-11,13H,12H2,1-3H3
InChIKeyKIFRIWGOXFXEJL-UHFFFAOYSA-N
MW300.35 g/mol
LogP3.49
Rot. Bonds6

About methyl 4-[1-(4-methoxyphenyl)propan-2-yloxy]benzoate

methyl 4-[1-(4-methoxyphenyl)propan-2-yloxy]benzoate (PubChem CID 86053961) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is methyl 4-[1-(4-methoxyphenyl)propan-2-yloxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[1-(4-methoxyphenyl)propan-2-yloxy]benzoate
PubChem CID86053961
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Namemethyl 4-[1-(4-methoxyphenyl)propan-2-yloxy]benzoate
SMILESCOC(=O)c1ccc(OC(C)Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C18H20O4/c1-13(12-14-4-8-16(20-2)9-5-14)22-17-10-6-15(7-11-17)18(19)21-3/h4-11,13H,12H2,1-3H3
InChIKeyKIFRIWGOXFXEJL-UHFFFAOYSA-N
XLogP3.49
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 4-[1-(4-methoxyphenyl)propan-2-yloxy]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-(2-methoxypropyl)benzoate
CID 57294671
methyl 4-[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]oxybenzoate
CID 24511118
anisole;methyl 4-methoxybenzoate
CID 158093995
methyl 4-[(2S)-pent-4-en-2-yl]oxybenzoate
CID 58407547
methyl 4-[(2R)-2-aminopropyl]benzoate
CID 22823241
2-bromo-3-(4-methoxycarbonylphenyl)propanoic acid
CID 150848084
methyl 4-[4-(4-methoxyphenoxy)phenoxy]benzoate
CID 10315855
1-(4-methoxyphenyl)propan-2-yl acetate
CID 12523796
[1-amino-2-(4-methoxyphenyl)ethyl] 4-methoxybenzoate
CID 56996314
3-(4-methoxyphenyl)-2-methylpropanoic acid
CID 10535804
(2S)-2-amino-N-[2-(4-methoxyphenoxy)propyl]-3-phenylpropanamide;hydrochloride
CID 119290472
formic acid;methyl 4-methoxybenzoate
CID 159779883

Frequently Asked Questions

What is the IUPAC name of methyl 4-[1-(4-methoxyphenyl)propan-2-yloxy]benzoate?
The IUPAC name of methyl 4-[1-(4-methoxyphenyl)propan-2-yloxy]benzoate (CID 86053961) is methyl 4-[1-(4-methoxyphenyl)propan-2-yloxy]benzoate.
What is the SMILES notation for methyl 4-[1-(4-methoxyphenyl)propan-2-yloxy]benzoate?
The canonical SMILES for methyl 4-[1-(4-methoxyphenyl)propan-2-yloxy]benzoate is COC(=O)c1ccc(OC(C)Cc2ccc(OC)cc2)cc1.
What is the InChIKey of methyl 4-[1-(4-methoxyphenyl)propan-2-yloxy]benzoate?
The InChIKey is KIFRIWGOXFXEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O4/c1-13(12-14-4-8-16(20-2)9-5-14)22-17-10-6-15(7-11-17)18(19)21-3/h4-11,13H,12H2,1-3H3.
What are the key properties of methyl 4-[1-(4-methoxyphenyl)propan-2-yloxy]benzoate?
methyl 4-[1-(4-methoxyphenyl)propan-2-yloxy]benzoate has a molecular weight of 300.35 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[1-(4-methoxyphenyl)propan-2-yloxy]benzoate is sourced from PubChem (CID 86053961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).