2-(2-methoxy-6-methylphenyl)propan-2-yl acetate

C13H18O3 — CID 142944193

IUPAC2-(2-methoxy-6-methylphenyl)propan-2-yl acetate
SMILESCOc1cccc(C)c1C(C)(C)OC(C)=O
InChIInChI=1S/C13H18O3/c1-9-7-6-8-11(15-5)12(9)13(3,4)16-10(2)14/h6-8H,1-5H3
InChIKeyMKHRXRFMQGEJPG-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.80
Rot. Bonds3

About 2-(2-methoxy-6-methylphenyl)propan-2-yl acetate

2-(2-methoxy-6-methylphenyl)propan-2-yl acetate (PubChem CID 142944193) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 2-(2-methoxy-6-methylphenyl)propan-2-yl acetate.

Molecular Properties

Compound Name2-(2-methoxy-6-methylphenyl)propan-2-yl acetate
PubChem CID142944193
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name2-(2-methoxy-6-methylphenyl)propan-2-yl acetate
SMILESCOc1cccc(C)c1C(C)(C)OC(C)=O
InChIInChI=1S/C13H18O3/c1-9-7-6-8-11(15-5)12(9)13(3,4)16-10(2)14/h6-8H,1-5H3
InChIKeyMKHRXRFMQGEJPG-UHFFFAOYSA-N
XLogP2.80
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-methoxy-6-methylbenzoate
CID 122173281
1,1,1-trifluoro-2-(2-methoxy-6-methylphenyl)propan-2-ol
CID 83950086
(2R)-2-amino-2-(2-methoxy-6-methylphenyl)propan-1-ol
CID 55268996
acetyl 2,6-dimethoxybenzoate
CID 57154954
2-(2,6-dimethoxyphenyl)-2-hydroxypropanediamide
CID 70450290
2-tert-butyl-3-methoxybenzoyl chloride
CID 143795822
[3-methyl-2-(2-methyl-4-oxopentan-2-yl)phenyl] formate
CID 170949266
1-chloro-1-(2-methoxy-6-methylphenyl)propan-2-one
CID 130839901
[2-methoxy-6-(2-oxopropyl)anilino] 2,2-dimethylpropanoate
CID 175297519
2-amino-1-[2-(1,1-difluoroethyl)-3-methoxyphenyl]ethanone
CID 84692542
2-[2-(1,1-difluoroethyl)-3-methoxyphenyl]acetic acid
CID 84693330
tert-butyl (2,6-dimethoxyphenyl) carbonate
CID 19982983

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-6-methylphenyl)propan-2-yl acetate?
The IUPAC name of 2-(2-methoxy-6-methylphenyl)propan-2-yl acetate (CID 142944193) is 2-(2-methoxy-6-methylphenyl)propan-2-yl acetate.
What is the SMILES notation for 2-(2-methoxy-6-methylphenyl)propan-2-yl acetate?
The canonical SMILES for 2-(2-methoxy-6-methylphenyl)propan-2-yl acetate is COc1cccc(C)c1C(C)(C)OC(C)=O.
What is the InChIKey of 2-(2-methoxy-6-methylphenyl)propan-2-yl acetate?
The InChIKey is MKHRXRFMQGEJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-9-7-6-8-11(15-5)12(9)13(3,4)16-10(2)14/h6-8H,1-5H3.
What are the key properties of 2-(2-methoxy-6-methylphenyl)propan-2-yl acetate?
2-(2-methoxy-6-methylphenyl)propan-2-yl acetate has a molecular weight of 222.28 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-6-methylphenyl)propan-2-yl acetate is sourced from PubChem (CID 142944193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).