methyl 3-(1-methoxypropan-2-yloxy)-5-[(2-methylphenyl)methoxy]benzoate

C20H24O5 — CID 71021525

IUPACmethyl 3-(1-methoxypropan-2-yloxy)-5-[(2-methylphenyl)methoxy]benzoate
SMILESCOCC(C)Oc1cc(OCc2ccccc2C)cc(C(=O)OC)c1
InChIInChI=1S/C20H24O5/c1-14-7-5-6-8-16(14)13-24-18-9-17(20(21)23-4)10-19(11-18)25-15(2)12-22-3/h5-11,15H,12-13H2,1-4H3
InChIKeyFIKXVFLWCTZGHE-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.77
Rot. Bonds8

About methyl 3-(1-methoxypropan-2-yloxy)-5-[(2-methylphenyl)methoxy]benzoate

methyl 3-(1-methoxypropan-2-yloxy)-5-[(2-methylphenyl)methoxy]benzoate (PubChem CID 71021525) has the molecular formula C20H24O5 and a molecular weight of 344.41 g/mol. Its IUPAC name is methyl 3-(1-methoxypropan-2-yloxy)-5-[(2-methylphenyl)methoxy]benzoate.

Molecular Properties

Compound Namemethyl 3-(1-methoxypropan-2-yloxy)-5-[(2-methylphenyl)methoxy]benzoate
PubChem CID71021525
Molecular FormulaC20H24O5
Molecular Weight344.41 g/mol
Exact Mass344.16
IUPAC Namemethyl 3-(1-methoxypropan-2-yloxy)-5-[(2-methylphenyl)methoxy]benzoate
SMILESCOCC(C)Oc1cc(OCc2ccccc2C)cc(C(=O)OC)c1
InChIInChI=1S/C20H24O5/c1-14-7-5-6-8-16(14)13-24-18-9-17(20(21)23-4)10-19(11-18)25-15(2)12-22-3/h5-11,15H,12-13H2,1-4H3
InChIKeyFIKXVFLWCTZGHE-UHFFFAOYSA-N
XLogP3.77
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(2S)-1-methoxypropan-2-yl]oxy-5-phenylmethoxybenzoate;sulfane
CID 161286829
1-[(2S)-1-methoxypropan-2-yl]oxy-3-[(2-methylphenyl)methoxy]benzene
CID 141165604
methyl 3-[(2S)-1-methoxypropan-2-yl]oxy-5-phenoxybenzoate
CID 58265939
methyl 3-[(2S)-butan-2-yl]oxy-5-phenylmethoxybenzoate
CID 59127096
1-[3,5-bis[(2-methylphenyl)methoxy]phenyl]ethanone
CID 142213591
3-(1-methoxypropoxy)-5-[(2-methylphenyl)methoxy]benzoic acid
CID 66921158
methyl 3-[2-(4-fluorophenyl)ethenyl]-5-[(2-methylphenyl)methoxy]benzoate
CID 67305335
1-(1-methoxyethenyl)-3-[(2S)-1-methoxypropan-2-yl]oxy-5-phenylmethoxybenzene
CID 67489263
methyl 3-(1-methoxypropan-2-yloxy)-5-(3-methylsulfonylphenoxy)benzoate
CID 122417383
methyl 3-butoxy-5-[(2S)-1-hydroxypropan-2-yl]oxybenzoate
CID 67489475
ethane;3-[(2S)-1-methoxypropan-2-yl]oxy-5-(2-phenylethoxy)benzoic acid
CID 143606642
3-[[3-[(2S)-1-methoxypropan-2-yl]oxy-5-phenylmethoxybenzoyl]amino]-5-methylpyrazole-1-carboxylic acid
CID 66921195

Frequently Asked Questions

What is the IUPAC name of methyl 3-(1-methoxypropan-2-yloxy)-5-[(2-methylphenyl)methoxy]benzoate?
The IUPAC name of methyl 3-(1-methoxypropan-2-yloxy)-5-[(2-methylphenyl)methoxy]benzoate (CID 71021525) is methyl 3-(1-methoxypropan-2-yloxy)-5-[(2-methylphenyl)methoxy]benzoate.
What is the SMILES notation for methyl 3-(1-methoxypropan-2-yloxy)-5-[(2-methylphenyl)methoxy]benzoate?
The canonical SMILES for methyl 3-(1-methoxypropan-2-yloxy)-5-[(2-methylphenyl)methoxy]benzoate is COCC(C)Oc1cc(OCc2ccccc2C)cc(C(=O)OC)c1.
What is the InChIKey of methyl 3-(1-methoxypropan-2-yloxy)-5-[(2-methylphenyl)methoxy]benzoate?
The InChIKey is FIKXVFLWCTZGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O5/c1-14-7-5-6-8-16(14)13-24-18-9-17(20(21)23-4)10-19(11-18)25-15(2)12-22-3/h5-11,15H,12-13H2,1-4H3.
What are the key properties of methyl 3-(1-methoxypropan-2-yloxy)-5-[(2-methylphenyl)methoxy]benzoate?
methyl 3-(1-methoxypropan-2-yloxy)-5-[(2-methylphenyl)methoxy]benzoate has a molecular weight of 344.41 g/mol, XLogP of 3.77, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1-methoxypropan-2-yloxy)-5-[(2-methylphenyl)methoxy]benzoate is sourced from PubChem (CID 71021525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).