methyl 2-[4-(4-ethylphenyl)phenyl]acetate

C17H18O2 — CID 20610301

IUPACmethyl 2-[4-(4-ethylphenyl)phenyl]acetate
SMILESCCc1ccc(-c2ccc(CC(=O)OC)cc2)cc1
InChIInChI=1S/C17H18O2/c1-3-13-4-8-15(9-5-13)16-10-6-14(7-11-16)12-17(18)19-2/h4-11H,3,12H2,1-2H3
InChIKeyRRPICQMVUWMCHO-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.63
Rot. Bonds4

About methyl 2-[4-(4-ethylphenyl)phenyl]acetate

methyl 2-[4-(4-ethylphenyl)phenyl]acetate (PubChem CID 20610301) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is methyl 2-[4-(4-ethylphenyl)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(4-ethylphenyl)phenyl]acetate
PubChem CID20610301
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Namemethyl 2-[4-(4-ethylphenyl)phenyl]acetate
SMILESCCc1ccc(-c2ccc(CC(=O)OC)cc2)cc1
InChIInChI=1S/C17H18O2/c1-3-13-4-8-15(9-5-13)16-10-6-14(7-11-16)12-17(18)19-2/h4-11H,3,12H2,1-2H3
InChIKeyRRPICQMVUWMCHO-UHFFFAOYSA-N
XLogP3.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze methyl 2-[4-(4-ethylphenyl)phenyl]acetate 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 2-[4-(4-hydroxyphenyl)phenyl]acetate
CID 86088038
methyl 2-[4-(3-methylphenyl)phenyl]acetate
CID 75488309
1-[4-(4-ethylphenyl)phenyl]butan-2-one
CID 142075756
methyl 2-(4-butylphenyl)acetate
CID 10442975
methyl 2-[4-(methylaminomethyl)phenyl]acetate
CID 23594251
sodium 4-(2-methoxy-2-oxoethyl)phenolate
CID 70152543
methyl 2-(4-aminophenyl)acetate;hydrochloride
CID 12918864
1-(bromomethyl)-4-methylbenzene;methyl 2-(4-methylphenyl)acetate
CID 158061256
methyl 2-[4-(diethylaminomethyl)phenyl]acetate
CID 125041894
methyl 2-[4-(2,4,6-trimethylphenyl)phenyl]acetate
CID 143366295
CID 172801156
CID 172801156
methyl 2-[4-(tritiomethyl)phenyl]acetate
CID 140891676

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(4-ethylphenyl)phenyl]acetate?
The IUPAC name of methyl 2-[4-(4-ethylphenyl)phenyl]acetate (CID 20610301) is methyl 2-[4-(4-ethylphenyl)phenyl]acetate.
What is the SMILES notation for methyl 2-[4-(4-ethylphenyl)phenyl]acetate?
The canonical SMILES for methyl 2-[4-(4-ethylphenyl)phenyl]acetate is CCc1ccc(-c2ccc(CC(=O)OC)cc2)cc1.
What is the InChIKey of methyl 2-[4-(4-ethylphenyl)phenyl]acetate?
The InChIKey is RRPICQMVUWMCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-3-13-4-8-15(9-5-13)16-10-6-14(7-11-16)12-17(18)19-2/h4-11H,3,12H2,1-2H3.
What are the key properties of methyl 2-[4-(4-ethylphenyl)phenyl]acetate?
methyl 2-[4-(4-ethylphenyl)phenyl]acetate has a molecular weight of 254.33 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(4-ethylphenyl)phenyl]acetate is sourced from PubChem (CID 20610301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).