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

C13H18O2 — CID 10987436

IUPACmethyl 2-[4-(2-methylpropyl)phenyl]acetate
SMILESCOC(=O)Cc1ccc(CC(C)C)cc1
InChIInChI=1S/C13H18O2/c1-10(2)8-11-4-6-12(7-5-11)9-13(14)15-3/h4-7,10H,8-9H2,1-3H3
InChIKeyNVJAXNOSRPVIIT-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.60
Rot. Bonds4

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

methyl 2-[4-(2-methylpropyl)phenyl]acetate (PubChem CID 10987436) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is methyl 2-[4-(2-methylpropyl)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(2-methylpropyl)phenyl]acetate
PubChem CID10987436
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Namemethyl 2-[4-(2-methylpropyl)phenyl]acetate
SMILESCOC(=O)Cc1ccc(CC(C)C)cc1
InChIInChI=1S/C13H18O2/c1-10(2)8-11-4-6-12(7-5-11)9-13(14)15-3/h4-7,10H,8-9H2,1-3H3
InChIKeyNVJAXNOSRPVIIT-UHFFFAOYSA-N
XLogP2.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze methyl 2-[4-(2-methylpropyl)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

ethyl 2-[4-(2-methylpropyl)phenyl]acetate;methane
CID 23349504
chloromethyl 2-[4-(2-methylpropyl)phenyl]acetate
CID 165349245
methyl 2-[[2-[4-(2-methylpropyl)phenyl]acetyl]-propan-2-ylamino]acetate
CID 78884649
methyl 3-amino-4-[4-(2-methylpropyl)phenyl]butanoate
CID 82351578
methyl 2-[4-[(propan-2-ylamino)methyl]phenyl]acetate
CID 143449158
N-(2-methoxyethyl)-2-[4-(2-methylpropyl)phenyl]acetamide
CID 78814646
2-[4-(2-methylpropyl)phenyl]-N-propan-2-ylacetamide
CID 78814712
methyl (3S)-3-amino-3-[4-(2-methylpropyl)phenyl]propanoate
CID 79018358
methyl 4-amino-3-methyl-3-[4-(2-methylpropyl)phenyl]pentanoate
CID 66098334
methyl 2-[4-[[2-methylpropyl(propan-2-yl)amino]methyl]phenyl]acetate
CID 23540454
methyl 2-[4-(methylaminomethyl)phenyl]acetate
CID 23594251
sodium 4-(2-methoxy-2-oxoethyl)phenolate
CID 70152543

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(2-methylpropyl)phenyl]acetate?
The IUPAC name of methyl 2-[4-(2-methylpropyl)phenyl]acetate (CID 10987436) is methyl 2-[4-(2-methylpropyl)phenyl]acetate.
What is the SMILES notation for methyl 2-[4-(2-methylpropyl)phenyl]acetate?
The canonical SMILES for methyl 2-[4-(2-methylpropyl)phenyl]acetate is COC(=O)Cc1ccc(CC(C)C)cc1.
What is the InChIKey of methyl 2-[4-(2-methylpropyl)phenyl]acetate?
The InChIKey is NVJAXNOSRPVIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-10(2)8-11-4-6-12(7-5-11)9-13(14)15-3/h4-7,10H,8-9H2,1-3H3.
What are the key properties of methyl 2-[4-(2-methylpropyl)phenyl]acetate?
methyl 2-[4-(2-methylpropyl)phenyl]acetate has a molecular weight of 206.28 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(2-methylpropyl)phenyl]acetate is sourced from PubChem (CID 10987436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).