5-[(3-methoxyphenyl)methoxy]-2-methylbenzoic acid

C16H16O4 — CID 82165959

IUPAC5-[(3-methoxyphenyl)methoxy]-2-methylbenzoic acid
SMILESCOc1cccc(COc2ccc(C)c(C(=O)O)c2)c1
InChIInChI=1S/C16H16O4/c1-11-6-7-14(9-15(11)16(17)18)20-10-12-4-3-5-13(8-12)19-2/h3-9H,10H2,1-2H3,(H,17,18)
InChIKeyQWUGIDVHOUFPHS-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.28
Rot. Bonds5

About 5-[(3-methoxyphenyl)methoxy]-2-methylbenzoic acid

5-[(3-methoxyphenyl)methoxy]-2-methylbenzoic acid (PubChem CID 82165959) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is 5-[(3-methoxyphenyl)methoxy]-2-methylbenzoic acid.

Molecular Properties

Compound Name5-[(3-methoxyphenyl)methoxy]-2-methylbenzoic acid
PubChem CID82165959
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name5-[(3-methoxyphenyl)methoxy]-2-methylbenzoic acid
SMILESCOc1cccc(COc2ccc(C)c(C(=O)O)c2)c1
InChIInChI=1S/C16H16O4/c1-11-6-7-14(9-15(11)16(17)18)20-10-12-4-3-5-13(8-12)19-2/h3-9H,10H2,1-2H3,(H,17,18)
InChIKeyQWUGIDVHOUFPHS-UHFFFAOYSA-N
XLogP3.28
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3-chlorophenyl)methoxy]-2-methylbenzoic acid
CID 59760044
2-methyl-5-(2-phenoxyethoxy)benzoic acid
CID 59058014
4-[(3-methoxyphenyl)methoxy]-2-methylbenzenecarbothioamide
CID 81277331
3-bromo-2-[(3-methoxyphenyl)methoxy]benzoic acid
CID 61391310
5-[(3-methoxyphenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid
CID 163379683
5-amino-2-[(3-methoxyphenyl)methoxy]benzoic acid
CID 43379967
ethane;4-phenylmethoxyphthalic acid
CID 90802135
3-bromo-5-[(3-methoxyphenyl)methoxy]benzoic acid
CID 102823525
5-[(3-methoxyphenyl)methoxy]pyridine-3-carboxylic acid
CID 63852197
2-hydroxy-5-[(3-hydroxyphenyl)methoxy]benzoic acid
CID 71036830
2-acetyl-5-[(3-hydroxyphenyl)methoxy]benzoic acid
CID 91863786
2-[2-[4-[(3-methoxyphenyl)methoxy]phenyl]ethyl-methylamino]acetic acid
CID 138600594

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methoxyphenyl)methoxy]-2-methylbenzoic acid?
The IUPAC name of 5-[(3-methoxyphenyl)methoxy]-2-methylbenzoic acid (CID 82165959) is 5-[(3-methoxyphenyl)methoxy]-2-methylbenzoic acid.
What is the SMILES notation for 5-[(3-methoxyphenyl)methoxy]-2-methylbenzoic acid?
The canonical SMILES for 5-[(3-methoxyphenyl)methoxy]-2-methylbenzoic acid is COc1cccc(COc2ccc(C)c(C(=O)O)c2)c1.
What is the InChIKey of 5-[(3-methoxyphenyl)methoxy]-2-methylbenzoic acid?
The InChIKey is QWUGIDVHOUFPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-11-6-7-14(9-15(11)16(17)18)20-10-12-4-3-5-13(8-12)19-2/h3-9H,10H2,1-2H3,(H,17,18).
What are the key properties of 5-[(3-methoxyphenyl)methoxy]-2-methylbenzoic acid?
5-[(3-methoxyphenyl)methoxy]-2-methylbenzoic acid has a molecular weight of 272.30 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methoxyphenyl)methoxy]-2-methylbenzoic acid is sourced from PubChem (CID 82165959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).