methyl 3-[4-(4-methylphenyl)phenoxy]butanoate

C18H20O3 — CID 43536216

IUPACmethyl 3-[4-(4-methylphenyl)phenoxy]butanoate
SMILESCOC(=O)CC(C)Oc1ccc(-c2ccc(C)cc2)cc1
InChIInChI=1S/C18H20O3/c1-13-4-6-15(7-5-13)16-8-10-17(11-9-16)21-14(2)12-18(19)20-3/h4-11,14H,12H2,1-3H3
InChIKeyYFTUWLWACOAOPM-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.99
Rot. Bonds5

About methyl 3-[4-(4-methylphenyl)phenoxy]butanoate

methyl 3-[4-(4-methylphenyl)phenoxy]butanoate (PubChem CID 43536216) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is methyl 3-[4-(4-methylphenyl)phenoxy]butanoate.

Molecular Properties

Compound Namemethyl 3-[4-(4-methylphenyl)phenoxy]butanoate
PubChem CID43536216
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Namemethyl 3-[4-(4-methylphenyl)phenoxy]butanoate
SMILESCOC(=O)CC(C)Oc1ccc(-c2ccc(C)cc2)cc1
InChIInChI=1S/C18H20O3/c1-13-4-6-15(7-5-13)16-8-10-17(11-9-16)21-14(2)12-18(19)20-3/h4-11,14H,12H2,1-3H3
InChIKeyYFTUWLWACOAOPM-UHFFFAOYSA-N
XLogP3.99
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 3-[4-(4-methylphenyl)phenoxy]butanoate 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 3-(4-methoxyphenoxy)butanoate
CID 43536008
ethyl (3S)-3-[4-[4-[4-[(2S)-4-ethoxy-4-oxobutan-2-yl]oxyphenyl]phenyl]phenoxy]butanoate
CID 67763826
methyl 3-(4-ethoxyphenoxy)butanoate
CID 43535934
methyl 3-(4-ethylphenoxy)butanoate
CID 43535962
methyl 3-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]butanoate
CID 43536243
methyl (3S)-3-(4-methylphenyl)butanoate
CID 10511947
(3S)-3-[4-(4-methylphenoxy)phenoxy]butanoic acid
CID 103547877
methyl 3-[4-(4-isothiocyanatobenzoyl)phenoxy]butanoate
CID 71538377
methyl 3-(2-methoxy-4-methylphenoxy)butanoate
CID 43536054
methyl 2-[4-(4-methylphenyl)phenoxy]acetate
CID 2791912
propan-2-yl 3-(4-methoxyphenoxy)butanoate
CID 146594244
methyl (3R)-3-(4-methylphenyl)sulfonyloxybutanoate
CID 10378536

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(4-methylphenyl)phenoxy]butanoate?
The IUPAC name of methyl 3-[4-(4-methylphenyl)phenoxy]butanoate (CID 43536216) is methyl 3-[4-(4-methylphenyl)phenoxy]butanoate.
What is the SMILES notation for methyl 3-[4-(4-methylphenyl)phenoxy]butanoate?
The canonical SMILES for methyl 3-[4-(4-methylphenyl)phenoxy]butanoate is COC(=O)CC(C)Oc1ccc(-c2ccc(C)cc2)cc1.
What is the InChIKey of methyl 3-[4-(4-methylphenyl)phenoxy]butanoate?
The InChIKey is YFTUWLWACOAOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-13-4-6-15(7-5-13)16-8-10-17(11-9-16)21-14(2)12-18(19)20-3/h4-11,14H,12H2,1-3H3.
What are the key properties of methyl 3-[4-(4-methylphenyl)phenoxy]butanoate?
methyl 3-[4-(4-methylphenyl)phenoxy]butanoate has a molecular weight of 284.36 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(4-methylphenyl)phenoxy]butanoate is sourced from PubChem (CID 43536216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).