ethane;(2-methylphenyl)methyl acetate

C12H18O2 — CID 143177732

IUPACethane;(2-methylphenyl)methyl acetate
SMILESCC.CC(=O)OCc1ccccc1C
InChIInChI=1S/C10H12O2.C2H6/c1-8-5-3-4-6-10(8)7-12-9(2)11;1-2/h3-6H,7H2,1-2H3;1-2H3
InChIKeyPXIJMSWDMNNUJM-UHFFFAOYSA-N
MW194.27 g/mol
LogP3.08
Rot. Bonds2

About ethane;(2-methylphenyl)methyl acetate

ethane;(2-methylphenyl)methyl acetate (PubChem CID 143177732) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is ethane;(2-methylphenyl)methyl acetate.

Molecular Properties

Compound Nameethane;(2-methylphenyl)methyl acetate
PubChem CID143177732
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Nameethane;(2-methylphenyl)methyl acetate
SMILESCC.CC(=O)OCc1ccccc1C
InChIInChI=1S/C10H12O2.C2H6/c1-8-5-3-4-6-10(8)7-12-9(2)11;1-2/h3-6H,7H2,1-2H3;1-2H3
InChIKeyPXIJMSWDMNNUJM-UHFFFAOYSA-N
XLogP3.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(bromomethyl)phenyl]methyl acetate
CID 14921817
bis[(2-methylphenyl)methyl] pentanedioate
CID 91703351
(2-sulfanylphenyl)methyl acetate
CID 118370744
(2-methylphenyl)methyl 2,2,2-trifluoroacetate
CID 2753147
(2-methylphenyl)methyl prop-2-ynoate
CID 175312012
(2-acetyloxyphenyl)methyl acetate
CID 10889107
(2-propylphenyl)methyl acetate
CID 18363688
4-(2-methylphenyl)butyl acetate
CID 145430143
(2-methylphenyl)methyl N,N-diethylcarbamate
CID 127519687
[3-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate
CID 86222923
[8-(acetyloxymethyl)naphthalen-1-yl]methyl acetate
CID 102370759
(4-chloro-2-methylphenyl)methyl acetate
CID 91715961

Frequently Asked Questions

What is the IUPAC name of ethane;(2-methylphenyl)methyl acetate?
The IUPAC name of ethane;(2-methylphenyl)methyl acetate (CID 143177732) is ethane;(2-methylphenyl)methyl acetate.
What is the SMILES notation for ethane;(2-methylphenyl)methyl acetate?
The canonical SMILES for ethane;(2-methylphenyl)methyl acetate is CC.CC(=O)OCc1ccccc1C.
What is the InChIKey of ethane;(2-methylphenyl)methyl acetate?
The InChIKey is PXIJMSWDMNNUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2.C2H6/c1-8-5-3-4-6-10(8)7-12-9(2)11;1-2/h3-6H,7H2,1-2H3;1-2H3.
What are the key properties of ethane;(2-methylphenyl)methyl acetate?
ethane;(2-methylphenyl)methyl acetate has a molecular weight of 194.27 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2-methylphenyl)methyl acetate is sourced from PubChem (CID 143177732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).