methyl 4-methyl-3-propan-2-yloxybenzoate

C12H16O3 — CID 23157412

IUPACmethyl 4-methyl-3-propan-2-yloxybenzoate
SMILESCOC(=O)c1ccc(C)c(OC(C)C)c1
InChIInChI=1S/C12H16O3/c1-8(2)15-11-7-10(12(13)14-4)6-5-9(11)3/h5-8H,1-4H3
InChIKeyFZTVBLUGAOJMAK-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.57
Rot. Bonds3

About methyl 4-methyl-3-propan-2-yloxybenzoate

methyl 4-methyl-3-propan-2-yloxybenzoate (PubChem CID 23157412) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is methyl 4-methyl-3-propan-2-yloxybenzoate.

Molecular Properties

Compound Namemethyl 4-methyl-3-propan-2-yloxybenzoate
PubChem CID23157412
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Namemethyl 4-methyl-3-propan-2-yloxybenzoate
SMILESCOC(=O)c1ccc(C)c(OC(C)C)c1
InChIInChI=1S/C12H16O3/c1-8(2)15-11-7-10(12(13)14-4)6-5-9(11)3/h5-8H,1-4H3
InChIKeyFZTVBLUGAOJMAK-UHFFFAOYSA-N
XLogP2.57
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-methyl-4-propan-2-yloxybenzoate
CID 58439062
4-methyl-1-(4-methyl-3-propan-2-yloxyphenyl)pentan-1-one
CID 167489420
methyl 4-methyl-3-phenoxybenzoate
CID 15210812
methyl 3-fluorosulfonyl-4-propan-2-yloxybenzoate
CID 165461434
methyl 3-(aminomethyl)-4-propan-2-yloxybenzoate;hydrochloride
CID 170919107
methyl 4-methyl-3-(2-methylpropanoyl)benzoate
CID 83388725
methyl 4-[2-(3,4-dimethylphenoxy)propanoyloxy]-3-methoxybenzoate
CID 2900157
methyl 4-methyl-3-(trifluoromethylsulfonyloxy)benzoate
CID 19034158
sodium;3-formyl-4-propan-2-yloxybenzoic acid;methyl 3-formyl-4-propan-2-yloxybenzoate;hydroxide
CID 159706911
methyl 3-[(3-methoxy-4-methylbenzoyl)amino]-4-methylbenzoate
CID 16604939
methyl 3-[(2R)-1-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-1-oxopropan-2-yl]oxy-4-methylbenzoate
CID 51932805
methanamine;methyl 3-amino-4-methylbenzoate
CID 164531340

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-3-propan-2-yloxybenzoate?
The IUPAC name of methyl 4-methyl-3-propan-2-yloxybenzoate (CID 23157412) is methyl 4-methyl-3-propan-2-yloxybenzoate.
What is the SMILES notation for methyl 4-methyl-3-propan-2-yloxybenzoate?
The canonical SMILES for methyl 4-methyl-3-propan-2-yloxybenzoate is COC(=O)c1ccc(C)c(OC(C)C)c1.
What is the InChIKey of methyl 4-methyl-3-propan-2-yloxybenzoate?
The InChIKey is FZTVBLUGAOJMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-8(2)15-11-7-10(12(13)14-4)6-5-9(11)3/h5-8H,1-4H3.
What are the key properties of methyl 4-methyl-3-propan-2-yloxybenzoate?
methyl 4-methyl-3-propan-2-yloxybenzoate has a molecular weight of 208.26 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-3-propan-2-yloxybenzoate is sourced from PubChem (CID 23157412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).