(4-methoxy-3-methylphenyl) 4-ethylbenzoate

C17H18O3 — CID 145123252

IUPAC(4-methoxy-3-methylphenyl) 4-ethylbenzoate
SMILESCCc1ccc(C(=O)Oc2ccc(OC)c(C)c2)cc1
InChIInChI=1S/C17H18O3/c1-4-13-5-7-14(8-6-13)17(18)20-15-9-10-16(19-3)12(2)11-15/h5-11H,4H2,1-3H3
InChIKeyVIFIAAQSQILNKF-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.79
Rot. Bonds4

About (4-methoxy-3-methylphenyl) 4-ethylbenzoate

(4-methoxy-3-methylphenyl) 4-ethylbenzoate (PubChem CID 145123252) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is (4-methoxy-3-methylphenyl) 4-ethylbenzoate.

Molecular Properties

Compound Name(4-methoxy-3-methylphenyl) 4-ethylbenzoate
PubChem CID145123252
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name(4-methoxy-3-methylphenyl) 4-ethylbenzoate
SMILESCCc1ccc(C(=O)Oc2ccc(OC)c(C)c2)cc1
InChIInChI=1S/C17H18O3/c1-4-13-5-7-14(8-6-13)17(18)20-15-9-10-16(19-3)12(2)11-15/h5-11H,4H2,1-3H3
InChIKeyVIFIAAQSQILNKF-UHFFFAOYSA-N
XLogP3.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze (4-methoxy-3-methylphenyl) 4-ethylbenzoate 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

(4-methoxy-3-methylphenyl) 4-formyloxybenzoate
CID 145128085
[4-(4-methoxybenzoyl)oxyphenyl] 4-ethylbenzoate
CID 118103231
[6-(4-ethylbenzoyl)oxynaphthalen-2-yl] 4-ethylbenzoate
CID 59281890
(3,4-dimethylphenyl) 4-methoxybenzoate
CID 4928836
[4-[(4-methoxyphenoxy)methoxy]-3-methylphenyl] 4-methoxybenzoate
CID 89477375
(3,4-dimethylphenyl) 3,4-dimethoxybenzoate
CID 723808
(4-methylphenyl) 4-methoxy-3-methylbenzoate
CID 145312740
[3-methoxy-4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate
CID 118547379
[3-methyl-4-[4-(sulfanylmethoxy)benzoyl]oxyphenyl] 4-(sulfanylmethoxy)benzoate
CID 170539195
[4-[6-(4-methoxy-3-methylphenoxy)hexoxy]phenyl] 4-methylbenzoate
CID 144956520
(3,4-dimethylphenyl) 4-butylbenzoate
CID 91723742
[3-tert-butyl-4-(4-ethylbenzoyl)oxyphenyl] 4-ethylbenzoate;ethane
CID 91445499

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-3-methylphenyl) 4-ethylbenzoate?
The IUPAC name of (4-methoxy-3-methylphenyl) 4-ethylbenzoate (CID 145123252) is (4-methoxy-3-methylphenyl) 4-ethylbenzoate.
What is the SMILES notation for (4-methoxy-3-methylphenyl) 4-ethylbenzoate?
The canonical SMILES for (4-methoxy-3-methylphenyl) 4-ethylbenzoate is CCc1ccc(C(=O)Oc2ccc(OC)c(C)c2)cc1.
What is the InChIKey of (4-methoxy-3-methylphenyl) 4-ethylbenzoate?
The InChIKey is VIFIAAQSQILNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-4-13-5-7-14(8-6-13)17(18)20-15-9-10-16(19-3)12(2)11-15/h5-11H,4H2,1-3H3.
What are the key properties of (4-methoxy-3-methylphenyl) 4-ethylbenzoate?
(4-methoxy-3-methylphenyl) 4-ethylbenzoate has a molecular weight of 270.33 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-3-methylphenyl) 4-ethylbenzoate is sourced from PubChem (CID 145123252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).