methyl 2-[(3-methoxyphenyl)methoxy]-5-methylbenzoate

C17H18O4 — CID 112828222

IUPACmethyl 2-[(3-methoxyphenyl)methoxy]-5-methylbenzoate
SMILESCOC(=O)c1cc(C)ccc1OCc1cccc(OC)c1
InChIInChI=1S/C17H18O4/c1-12-7-8-16(15(9-12)17(18)20-3)21-11-13-5-4-6-14(10-13)19-2/h4-10H,11H2,1-3H3
InChIKeyDPHVXVLGYLQSTO-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.37
Rot. Bonds5

About methyl 2-[(3-methoxyphenyl)methoxy]-5-methylbenzoate

methyl 2-[(3-methoxyphenyl)methoxy]-5-methylbenzoate (PubChem CID 112828222) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is methyl 2-[(3-methoxyphenyl)methoxy]-5-methylbenzoate.

Molecular Properties

Compound Namemethyl 2-[(3-methoxyphenyl)methoxy]-5-methylbenzoate
PubChem CID112828222
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Namemethyl 2-[(3-methoxyphenyl)methoxy]-5-methylbenzoate
SMILESCOC(=O)c1cc(C)ccc1OCc1cccc(OC)c1
InChIInChI=1S/C17H18O4/c1-12-7-8-16(15(9-12)17(18)20-3)21-11-13-5-4-6-14(10-13)19-2/h4-10H,11H2,1-3H3
InChIKeyDPHVXVLGYLQSTO-UHFFFAOYSA-N
XLogP3.37
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-amino-2-[(3-methoxyphenyl)methoxy]benzoate
CID 106954943
5-amino-2-[(3-methoxyphenyl)methoxy]benzoic acid
CID 43379967
[2-(3-methoxyanilino)-2-oxoethyl] 2-[(3-methylphenyl)methoxy]benzoate
CID 7771223
N-[3-[(3-methoxyphenyl)methoxy]-2-methylphenyl]acetamide
CID 84590450
1-methoxy-3-[(2-methylphenoxy)methyl]benzene
CID 59416569
2-[(3-fluorophenyl)methoxy]-5-methylbenzoic acid
CID 60652984
2-[[2-(3-methoxyphenyl)acetyl]amino]-5-methylbenzoic acid
CID 43823093
methyl 5-amino-2-[(3-bromophenyl)methoxy]benzoate
CID 82831709
methyl 2-(3-hydroxypropoxy)-5-methylbenzoate
CID 110885047
5-[(3-methoxyphenyl)methoxy]-N-[(4-methylphenyl)methyl]-4-oxopyran-2-carboxamide
CID 42227339
3-fluoro-4-[(3-methoxyphenyl)methoxy]benzoic acid
CID 28604689
(3-methoxyphenyl)methyl 2-methoxy-5-sulfamoylbenzoate
CID 16570421

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-methoxyphenyl)methoxy]-5-methylbenzoate?
The IUPAC name of methyl 2-[(3-methoxyphenyl)methoxy]-5-methylbenzoate (CID 112828222) is methyl 2-[(3-methoxyphenyl)methoxy]-5-methylbenzoate.
What is the SMILES notation for methyl 2-[(3-methoxyphenyl)methoxy]-5-methylbenzoate?
The canonical SMILES for methyl 2-[(3-methoxyphenyl)methoxy]-5-methylbenzoate is COC(=O)c1cc(C)ccc1OCc1cccc(OC)c1.
What is the InChIKey of methyl 2-[(3-methoxyphenyl)methoxy]-5-methylbenzoate?
The InChIKey is DPHVXVLGYLQSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-12-7-8-16(15(9-12)17(18)20-3)21-11-13-5-4-6-14(10-13)19-2/h4-10H,11H2,1-3H3.
What are the key properties of methyl 2-[(3-methoxyphenyl)methoxy]-5-methylbenzoate?
methyl 2-[(3-methoxyphenyl)methoxy]-5-methylbenzoate has a molecular weight of 286.33 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-methoxyphenyl)methoxy]-5-methylbenzoate is sourced from PubChem (CID 112828222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).