ethyl 2-[4-(2-methylpropyl)phenyl]acetate;methane

C15H24O2 — CID 23349504

IUPACethyl 2-[4-(2-methylpropyl)phenyl]acetate;methane
SMILESC.CCOC(=O)Cc1ccc(CC(C)C)cc1
InChIInChI=1S/C14H20O2.CH4/c1-4-16-14(15)10-13-7-5-12(6-8-13)9-11(2)3;/h5-8,11H,4,9-10H2,1-3H3;1H4
InChIKeySOYBFVZJCSQBDL-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.63
Rot. Bonds5

About ethyl 2-[4-(2-methylpropyl)phenyl]acetate;methane

ethyl 2-[4-(2-methylpropyl)phenyl]acetate;methane (PubChem CID 23349504) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is ethyl 2-[4-(2-methylpropyl)phenyl]acetate;methane.

Molecular Properties

Compound Nameethyl 2-[4-(2-methylpropyl)phenyl]acetate;methane
PubChem CID23349504
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Nameethyl 2-[4-(2-methylpropyl)phenyl]acetate;methane
SMILESC.CCOC(=O)Cc1ccc(CC(C)C)cc1
InChIInChI=1S/C14H20O2.CH4/c1-4-16-14(15)10-13-7-5-12(6-8-13)9-11(2)3;/h5-8,11H,4,9-10H2,1-3H3;1H4
InChIKeySOYBFVZJCSQBDL-UHFFFAOYSA-N
XLogP3.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethyl 2-[4-(2-methylpropyl)phenyl]acetate;methane 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

chloromethyl 2-[4-(2-methylpropyl)phenyl]acetate
CID 165349245
ethyl 2-[2-(2-ethoxy-2-oxoethyl)-4-(2-methylpropyl)phenyl]acetate
CID 140674159
ethyl 2-amino-3-[4-(2-ethoxy-2-oxoethyl)phenyl]propanoate
CID 10446326
methyl 2-[4-(2-methylpropyl)phenyl]acetate
CID 10987436
ethyl 2-[4-[(1R)-1-aminoethyl]phenyl]acetate;hydrochloride
CID 155291481
4-oxopentyl 2-[4-(2-methylpropyl)phenyl]acetate
CID 78846651
ethyl 2-[2-(2-methylpropyl)phenyl]acetate
CID 105476130
ethyl 2-phenylacetate
CID 7590
ethyl 2-[4-[[(1R)-1-iodoethyl]amino]phenyl]acetate
CID 142030495
ethyl 2-phenylacetate;hydrate
CID 141257001
ethyl 2-(4-trimethylsilylphenyl)acetate
CID 125466611
1-(4-methylphenyl)-3-[4-(2-methylpropyl)phenyl]propan-2-one
CID 159697261

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(2-methylpropyl)phenyl]acetate;methane?
The IUPAC name of ethyl 2-[4-(2-methylpropyl)phenyl]acetate;methane (CID 23349504) is ethyl 2-[4-(2-methylpropyl)phenyl]acetate;methane.
What is the SMILES notation for ethyl 2-[4-(2-methylpropyl)phenyl]acetate;methane?
The canonical SMILES for ethyl 2-[4-(2-methylpropyl)phenyl]acetate;methane is C.CCOC(=O)Cc1ccc(CC(C)C)cc1.
What is the InChIKey of ethyl 2-[4-(2-methylpropyl)phenyl]acetate;methane?
The InChIKey is SOYBFVZJCSQBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2.CH4/c1-4-16-14(15)10-13-7-5-12(6-8-13)9-11(2)3;/h5-8,11H,4,9-10H2,1-3H3;1H4.
What are the key properties of ethyl 2-[4-(2-methylpropyl)phenyl]acetate;methane?
ethyl 2-[4-(2-methylpropyl)phenyl]acetate;methane has a molecular weight of 236.35 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(2-methylpropyl)phenyl]acetate;methane is sourced from PubChem (CID 23349504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).