methyl 3-methyl-4-(2-propan-2-ylphenyl)benzoate

C18H20O2 — CID 24766142

IUPACmethyl 3-methyl-4-(2-propan-2-ylphenyl)benzoate
SMILESCOC(=O)c1ccc(-c2ccccc2C(C)C)c(C)c1
InChIInChI=1S/C18H20O2/c1-12(2)15-7-5-6-8-17(15)16-10-9-14(11-13(16)3)18(19)20-4/h5-12H,1-4H3
InChIKeyNZIZSIKIVLQWKG-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.57
Rot. Bonds3

About methyl 3-methyl-4-(2-propan-2-ylphenyl)benzoate

methyl 3-methyl-4-(2-propan-2-ylphenyl)benzoate (PubChem CID 24766142) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is methyl 3-methyl-4-(2-propan-2-ylphenyl)benzoate.

Molecular Properties

Compound Namemethyl 3-methyl-4-(2-propan-2-ylphenyl)benzoate
PubChem CID24766142
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Namemethyl 3-methyl-4-(2-propan-2-ylphenyl)benzoate
SMILESCOC(=O)c1ccc(-c2ccccc2C(C)C)c(C)c1
InChIInChI=1S/C18H20O2/c1-12(2)15-7-5-6-8-17(15)16-10-9-14(11-13(16)3)18(19)20-4/h5-12H,1-4H3
InChIKeyNZIZSIKIVLQWKG-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 4-(3-hydroxy-2-methylphenyl)-3-methylbenzoate
CID 22606889
methyl 3-methyl-5-(2-propan-2-ylphenyl)benzoate
CID 70085753
methyl 4-(2-methoxy-3-pyridinyl)-3-methylbenzoate
CID 67528907
methyl 3-methyl-4-pyridin-2-ylbenzoate
CID 24829012
methyl 4-(1-iodoethyl)-3-methylbenzoate
CID 167035642
methyl 4-methyl-3-[(2-propan-2-ylphenyl)sulfamoyl]benzoate
CID 35507391
methyl (9E)-9-(2-methoxycarbonylfluoren-9-ylidene)fluorene-2-carboxylate
CID 14593436
methyl 4-(3-hydroxyphenyl)-3-methylbenzoate
CID 169272062
methyl 4-iodo-3-propan-2-ylbenzoate
CID 134691911
methyl 4-butan-2-yl-3-methylbenzoate
CID 164538422
methyl 4-(4-chlorophenyl)-3-methylbenzoate
CID 58610225
methyl 3-methyl-4-propan-2-yloxybenzoate
CID 58439062

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-4-(2-propan-2-ylphenyl)benzoate?
The IUPAC name of methyl 3-methyl-4-(2-propan-2-ylphenyl)benzoate (CID 24766142) is methyl 3-methyl-4-(2-propan-2-ylphenyl)benzoate.
What is the SMILES notation for methyl 3-methyl-4-(2-propan-2-ylphenyl)benzoate?
The canonical SMILES for methyl 3-methyl-4-(2-propan-2-ylphenyl)benzoate is COC(=O)c1ccc(-c2ccccc2C(C)C)c(C)c1.
What is the InChIKey of methyl 3-methyl-4-(2-propan-2-ylphenyl)benzoate?
The InChIKey is NZIZSIKIVLQWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-12(2)15-7-5-6-8-17(15)16-10-9-14(11-13(16)3)18(19)20-4/h5-12H,1-4H3.
What are the key properties of methyl 3-methyl-4-(2-propan-2-ylphenyl)benzoate?
methyl 3-methyl-4-(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-4-(2-propan-2-ylphenyl)benzoate is sourced from PubChem (CID 24766142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).