(2-methylphenyl) 2-ethyl-2-methylpentanoate

C15H22O2 — CID 89386022

IUPAC(2-methylphenyl) 2-ethyl-2-methylpentanoate
SMILESCCCC(C)(CC)C(=O)Oc1ccccc1C
InChIInChI=1S/C15H22O2/c1-5-11-15(4,6-2)14(16)17-13-10-8-7-9-12(13)3/h7-10H,5-6,11H2,1-4H3
InChIKeyZPIXPIGZPDUTLD-UHFFFAOYSA-N
MW234.34 g/mol
LogP4.12
Rot. Bonds5

About (2-methylphenyl) 2-ethyl-2-methylpentanoate

(2-methylphenyl) 2-ethyl-2-methylpentanoate (PubChem CID 89386022) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is (2-methylphenyl) 2-ethyl-2-methylpentanoate.

Molecular Properties

Compound Name(2-methylphenyl) 2-ethyl-2-methylpentanoate
PubChem CID89386022
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name(2-methylphenyl) 2-ethyl-2-methylpentanoate
SMILESCCCC(C)(CC)C(=O)Oc1ccccc1C
InChIInChI=1S/C15H22O2/c1-5-11-15(4,6-2)14(16)17-13-10-8-7-9-12(13)3/h7-10H,5-6,11H2,1-4H3
InChIKeyZPIXPIGZPDUTLD-UHFFFAOYSA-N
XLogP4.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2-methylphenyl) 2-ethyl-2-methylpentanoate 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

1-O-ethyl 3-O-(2-methylphenyl) 2,2-dimethylpropanedioate
CID 91699086
(2-methylphenyl) 3,3-dimethylbutanoate
CID 78776850
1-O-ethyl 2-O-(2-methylphenyl) oxalate
CID 6422111
(2-methylphenyl) 2-ethylbutanoate
CID 78776856
[2-methyl-4-[9-[3-methyl-4-(3-methyloctan-3-yloxy)phenyl]fluoren-9-yl]phenyl] 2-ethyl-2-methylheptanoate
CID 89359515
2-methyl-2-[(2-methylphenyl)methyl]pentanoic acid
CID 62738371
(2-methylphenyl) 2-methylpentanoate
CID 68905872
[2-methyl-4-[2-[3-methyl-4-(3-methylpentan-3-yloxy)phenyl]propan-2-yl]phenyl] 2-ethyl-2-methylbutanoate
CID 89426205
3-methyl-3-(2-methylphenoxy)butanoic acid
CID 82077638
(2-ethylphenyl) 2,2-dimethylbutanoate
CID 174752063
(2-butylphenyl) (2-methylphenyl) carbonate
CID 19107215
(2-methylphenyl) 2-methylidenehexanoate
CID 139998276

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl) 2-ethyl-2-methylpentanoate?
The IUPAC name of (2-methylphenyl) 2-ethyl-2-methylpentanoate (CID 89386022) is (2-methylphenyl) 2-ethyl-2-methylpentanoate.
What is the SMILES notation for (2-methylphenyl) 2-ethyl-2-methylpentanoate?
The canonical SMILES for (2-methylphenyl) 2-ethyl-2-methylpentanoate is CCCC(C)(CC)C(=O)Oc1ccccc1C.
What is the InChIKey of (2-methylphenyl) 2-ethyl-2-methylpentanoate?
The InChIKey is ZPIXPIGZPDUTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-5-11-15(4,6-2)14(16)17-13-10-8-7-9-12(13)3/h7-10H,5-6,11H2,1-4H3.
What are the key properties of (2-methylphenyl) 2-ethyl-2-methylpentanoate?
(2-methylphenyl) 2-ethyl-2-methylpentanoate has a molecular weight of 234.34 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl) 2-ethyl-2-methylpentanoate is sourced from PubChem (CID 89386022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).