ethane;methyl 2-(2-methylphenyl)acetate

C16H30O2 — CID 142489189

IUPACethane;methyl 2-(2-methylphenyl)acetate
SMILESCC.CC.CC.COC(=O)Cc1ccccc1C
InChIInChI=1S/C10H12O2.3C2H6/c1-8-5-3-4-6-9(8)7-10(11)12-2;3*1-2/h3-6H,7H2,1-2H3;3*1-2H3
InChIKeyAZPYCZNAHUDRNC-UHFFFAOYSA-N
MW254.41 g/mol
LogP4.79
Rot. Bonds2

About ethane;methyl 2-(2-methylphenyl)acetate

ethane;methyl 2-(2-methylphenyl)acetate (PubChem CID 142489189) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is ethane;methyl 2-(2-methylphenyl)acetate.

Molecular Properties

Compound Nameethane;methyl 2-(2-methylphenyl)acetate
PubChem CID142489189
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Nameethane;methyl 2-(2-methylphenyl)acetate
SMILESCC.CC.CC.COC(=O)Cc1ccccc1C
InChIInChI=1S/C10H12O2.3C2H6/c1-8-5-3-4-6-9(8)7-10(11)12-2;3*1-2/h3-6H,7H2,1-2H3;3*1-2H3
InChIKeyAZPYCZNAHUDRNC-UHFFFAOYSA-N
XLogP4.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;methyl 2-(2-methylphenyl)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 3-[(2-methylphenyl)methyl]but-3-enoate
CID 117268934
methyl 2-(2-fluoro-3-methylphenyl)acetate
CID 130064946
2-methoxyethyl 2-(2-methylphenyl)acetate
CID 78830183
methyl 2-[2-(2-oxopropyl)phenyl]acetate
CID 70551388
potassium;hydride;phosphanyl 2-(2-methylphenyl)acetate
CID 174951239
[2-(2-methoxyphenyl)acetyl] 2-(2-methylphenyl)acetate
CID 57251946
methyl 2-[2-[(2,6-dimethylphenyl)methylsulfanyl]phenyl]acetate
CID 54079299
2-(2-methylphenyl)acetic acid
CID 67440217
2-(2-methoxy-2-oxoethyl)phenolate
CID 19356399
methyl 2-(2-butylphenyl)acetate
CID 141125258
methyl 2-[2-hydroxy-3-(2-methoxy-2-oxoethyl)phenyl]acetate
CID 19356446
2-(2-methylphenyl)-N-[2-(2-methylphenyl)acetyl]acetamide
CID 140983476

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 2-(2-methylphenyl)acetate?
The IUPAC name of ethane;methyl 2-(2-methylphenyl)acetate (CID 142489189) is ethane;methyl 2-(2-methylphenyl)acetate.
What is the SMILES notation for ethane;methyl 2-(2-methylphenyl)acetate?
The canonical SMILES for ethane;methyl 2-(2-methylphenyl)acetate is CC.CC.CC.COC(=O)Cc1ccccc1C.
What is the InChIKey of ethane;methyl 2-(2-methylphenyl)acetate?
The InChIKey is AZPYCZNAHUDRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2.3C2H6/c1-8-5-3-4-6-9(8)7-10(11)12-2;3*1-2/h3-6H,7H2,1-2H3;3*1-2H3.
What are the key properties of ethane;methyl 2-(2-methylphenyl)acetate?
ethane;methyl 2-(2-methylphenyl)acetate has a molecular weight of 254.41 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 2-(2-methylphenyl)acetate is sourced from PubChem (CID 142489189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).