methyl 2-ethoxy-4-(2-methoxypropan-2-yl)benzoate

C14H20O4 — CID 67071349

IUPACmethyl 2-ethoxy-4-(2-methoxypropan-2-yl)benzoate
SMILESCCOc1cc(C(C)(C)OC)ccc1C(=O)OC
InChIInChI=1S/C14H20O4/c1-6-18-12-9-10(14(2,3)17-5)7-8-11(12)13(15)16-4/h7-9H,6H2,1-5H3
InChIKeyFZNPZSRCFZIPGM-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.75
Rot. Bonds5

About methyl 2-ethoxy-4-(2-methoxypropan-2-yl)benzoate

methyl 2-ethoxy-4-(2-methoxypropan-2-yl)benzoate (PubChem CID 67071349) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is methyl 2-ethoxy-4-(2-methoxypropan-2-yl)benzoate.

Molecular Properties

Compound Namemethyl 2-ethoxy-4-(2-methoxypropan-2-yl)benzoate
PubChem CID67071349
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Namemethyl 2-ethoxy-4-(2-methoxypropan-2-yl)benzoate
SMILESCCOc1cc(C(C)(C)OC)ccc1C(=O)OC
InChIInChI=1S/C14H20O4/c1-6-18-12-9-10(14(2,3)17-5)7-8-11(12)13(15)16-4/h7-9H,6H2,1-5H3
InChIKeyFZNPZSRCFZIPGM-UHFFFAOYSA-N
XLogP2.75
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-ethoxy-4-[1-[2-(3-ethoxy-4-methoxycarbonylphenyl)-2-methylpropoxy]carbonyloxy-2-methylpropan-2-yl]benzoate
CID 90688610
methyl 4-[diethoxy(phosphoroso)methyl]-2-methoxybenzoate
CID 174825251
methyl 2-methoxy-4-(trifluoromethyl)benzoate
CID 24728010
methyl 2-(4-methoxy-4-oxobutoxy)-4-(trifluoromethyl)benzoate
CID 59845787
methyl 2-ethoxy-4-[3-(trifluoromethylsulfonyloxy)cyclobutyl]oxybenzoate
CID 156504148
ethyl 4-(2-methoxypropan-2-yl)benzoate
CID 140896338
methyl 2-ethoxy-5-iodo-4-methylbenzoate
CID 59224659
methyl 6-amino-4-ethoxypyridine-3-carboxylate
CID 155437022
methyl 2-[2-(4-tert-butylanilino)-2-oxoethoxy]-4-methoxybenzoate
CID 7704907
methyl 2-ethoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 166872941
methyl 2-ethoxy-3,5-dihydroxybenzoate
CID 141013441
methyl 2-propoxy-4-(trifluoromethoxy)benzoate
CID 162583007

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethoxy-4-(2-methoxypropan-2-yl)benzoate?
The IUPAC name of methyl 2-ethoxy-4-(2-methoxypropan-2-yl)benzoate (CID 67071349) is methyl 2-ethoxy-4-(2-methoxypropan-2-yl)benzoate.
What is the SMILES notation for methyl 2-ethoxy-4-(2-methoxypropan-2-yl)benzoate?
The canonical SMILES for methyl 2-ethoxy-4-(2-methoxypropan-2-yl)benzoate is CCOc1cc(C(C)(C)OC)ccc1C(=O)OC.
What is the InChIKey of methyl 2-ethoxy-4-(2-methoxypropan-2-yl)benzoate?
The InChIKey is FZNPZSRCFZIPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-6-18-12-9-10(14(2,3)17-5)7-8-11(12)13(15)16-4/h7-9H,6H2,1-5H3.
What are the key properties of methyl 2-ethoxy-4-(2-methoxypropan-2-yl)benzoate?
methyl 2-ethoxy-4-(2-methoxypropan-2-yl)benzoate has a molecular weight of 252.31 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethoxy-4-(2-methoxypropan-2-yl)benzoate is sourced from PubChem (CID 67071349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).