methyl 3-methyl-5-(2-propan-2-ylphenyl)benzoate

C18H20O2 — CID 70085753

IUPACmethyl 3-methyl-5-(2-propan-2-ylphenyl)benzoate
SMILESCOC(=O)c1cc(C)cc(-c2ccccc2C(C)C)c1
InChIInChI=1S/C18H20O2/c1-12(2)16-7-5-6-8-17(16)14-9-13(3)10-15(11-14)18(19)20-4/h5-12H,1-4H3
InChIKeyYBXTWCPNNAUEGN-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.57
Rot. Bonds3

About methyl 3-methyl-5-(2-propan-2-ylphenyl)benzoate

methyl 3-methyl-5-(2-propan-2-ylphenyl)benzoate (PubChem CID 70085753) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is methyl 3-methyl-5-(2-propan-2-ylphenyl)benzoate.

Molecular Properties

Compound Namemethyl 3-methyl-5-(2-propan-2-ylphenyl)benzoate
PubChem CID70085753
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Namemethyl 3-methyl-5-(2-propan-2-ylphenyl)benzoate
SMILESCOC(=O)c1cc(C)cc(-c2ccccc2C(C)C)c1
InChIInChI=1S/C18H20O2/c1-12(2)16-7-5-6-8-17(16)14-9-13(3)10-15(11-14)18(19)20-4/h5-12H,1-4H3
InChIKeyYBXTWCPNNAUEGN-UHFFFAOYSA-N
XLogP4.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-methyl-5-(2-methylphenyl)benzoate
CID 158969225
methyl 3-methyl-4-(2-propan-2-ylphenyl)benzoate
CID 24766142
bis(1,4-dimethyl-2-(2-propan-2-ylphenyl)benzene);1-methyl-3-nitro-5-(2-propan-2-ylphenyl)benzene;methyl 3-nitro-5-(2-propan-2-ylphenyl)benzoate;N-methyl-3-(2-propan-2-ylphenyl)benzamide;bis(1-methyl-3-(2-propan-2-ylphenyl)benzene)
CID 158942741
ethane;methyl 3-(2-fluoro-4-methylphenyl)-5-methylbenzoate
CID 143667163
N-methyl-3-(2-propan-2-ylphenyl)benzamide
CID 142590167
methyl 3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)benzoate
CID 134634001
methyl 3-bromo-5-(2-hydroxyphenyl)benzoate
CID 175028755
methyl 3,4,5-tri(propan-2-yl)benzoate
CID 166806924
methyl 3-methyl-5-(7-phenylfuro[3,2-b]pyridin-2-yl)benzoate
CID 66779782
3-methoxycarbonyl-5-methylbenzoic acid
CID 7210836
methyl 4-methyl-3-[(2-propan-2-ylphenyl)sulfamoyl]benzoate
CID 35507391
methyl 3-methyl-5-(2-methylpropyl)benzoate
CID 118269257

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-5-(2-propan-2-ylphenyl)benzoate?
The IUPAC name of methyl 3-methyl-5-(2-propan-2-ylphenyl)benzoate (CID 70085753) is methyl 3-methyl-5-(2-propan-2-ylphenyl)benzoate.
What is the SMILES notation for methyl 3-methyl-5-(2-propan-2-ylphenyl)benzoate?
The canonical SMILES for methyl 3-methyl-5-(2-propan-2-ylphenyl)benzoate is COC(=O)c1cc(C)cc(-c2ccccc2C(C)C)c1.
What is the InChIKey of methyl 3-methyl-5-(2-propan-2-ylphenyl)benzoate?
The InChIKey is YBXTWCPNNAUEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-12(2)16-7-5-6-8-17(16)14-9-13(3)10-15(11-14)18(19)20-4/h5-12H,1-4H3.
What are the key properties of methyl 3-methyl-5-(2-propan-2-ylphenyl)benzoate?
methyl 3-methyl-5-(2-propan-2-ylphenyl)benzoate has a molecular weight of 268.36 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-5-(2-propan-2-ylphenyl)benzoate is sourced from PubChem (CID 70085753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).