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

C12H16O3 — CID 58439062

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

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

methyl 3-methyl-4-propan-2-yloxybenzoate (PubChem CID 58439062) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is methyl 3-methyl-4-propan-2-yloxybenzoate.

Molecular Properties

Compound Namemethyl 3-methyl-4-propan-2-yloxybenzoate
PubChem CID58439062
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Namemethyl 3-methyl-4-propan-2-yloxybenzoate
SMILESCOC(=O)c1ccc(OC(C)C)c(C)c1
InChIInChI=1S/C12H16O3/c1-8(2)15-11-6-5-10(7-9(11)3)12(13)14-4/h5-8H,1-4H3
InChIKeyILANZIPUWVQLFZ-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 4-methyl-3-propan-2-yloxybenzoate
CID 23157412
methyl 3-(3-methyl-4-propan-2-yloxyphenyl)-3-oxopropanoate
CID 95461156
1-(3-methyl-4-propan-2-yloxyphenyl)propan-1-one
CID 82051543
1-(3-methyl-4-propan-2-yloxyphenyl)butan-1-one
CID 82051544
2-methyl-1-(3-methyl-4-propan-2-yloxyphenyl)prop-2-en-1-one
CID 82285504
2,2,2-trifluoro-1-(3-methyl-4-propan-2-yloxyphenyl)ethanone
CID 82295021
methyl 3-fluorosulfonyl-4-propan-2-yloxybenzoate
CID 165461434
methyl 3-(aminomethyl)-4-propan-2-yloxybenzoate;hydrochloride
CID 170919107
(1-methylcyclopropyl)-(3-methyl-4-propan-2-yloxyphenyl)methanone
CID 82289722
methyl 3-bromo-4-propan-2-yloxybenzoate;methyl 3-cyano-4-propan-2-yloxybenzoate
CID 159350911
N,N-diethyl-3-methyl-4-propan-2-yloxybenzamide
CID 110762336
sodium;3-formyl-4-propan-2-yloxybenzoic acid;methyl 3-formyl-4-propan-2-yloxybenzoate;hydroxide
CID 159706911

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-4-propan-2-yloxybenzoate?
The IUPAC name of methyl 3-methyl-4-propan-2-yloxybenzoate (CID 58439062) is methyl 3-methyl-4-propan-2-yloxybenzoate.
What is the SMILES notation for methyl 3-methyl-4-propan-2-yloxybenzoate?
The canonical SMILES for methyl 3-methyl-4-propan-2-yloxybenzoate is COC(=O)c1ccc(OC(C)C)c(C)c1.
What is the InChIKey of methyl 3-methyl-4-propan-2-yloxybenzoate?
The InChIKey is ILANZIPUWVQLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-8(2)15-11-6-5-10(7-9(11)3)12(13)14-4/h5-8H,1-4H3.
What are the key properties of methyl 3-methyl-4-propan-2-yloxybenzoate?
methyl 3-methyl-4-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 3-methyl-4-propan-2-yloxybenzoate is sourced from PubChem (CID 58439062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).