3-[(3-methylphenyl)methoxy]phthalic acid

C16H14O5 — CID 66906397

IUPAC3-[(3-methylphenyl)methoxy]phthalic acid
SMILESCc1cccc(COc2cccc(C(=O)O)c2C(=O)O)c1
InChIInChI=1S/C16H14O5/c1-10-4-2-5-11(8-10)9-21-13-7-3-6-12(15(17)18)14(13)16(19)20/h2-8H,9H2,1H3,(H,17,18)(H,19,20)
InChIKeyLKZPNVWDYGTPJY-UHFFFAOYSA-N
MW286.28 g/mol
LogP2.97
Rot. Bonds5

About 3-[(3-methylphenyl)methoxy]phthalic acid

3-[(3-methylphenyl)methoxy]phthalic acid (PubChem CID 66906397) has the molecular formula C16H14O5 and a molecular weight of 286.28 g/mol. Its IUPAC name is 3-[(3-methylphenyl)methoxy]phthalic acid.

Molecular Properties

Compound Name3-[(3-methylphenyl)methoxy]phthalic acid
PubChem CID66906397
Molecular FormulaC16H14O5
Molecular Weight286.28 g/mol
Exact Mass286.08
IUPAC Name3-[(3-methylphenyl)methoxy]phthalic acid
SMILESCc1cccc(COc2cccc(C(=O)O)c2C(=O)O)c1
InChIInChI=1S/C16H14O5/c1-10-4-2-5-11(8-10)9-21-13-7-3-6-12(15(17)18)14(13)16(19)20/h2-8H,9H2,1H3,(H,17,18)(H,19,20)
InChIKeyLKZPNVWDYGTPJY-UHFFFAOYSA-N
XLogP2.97
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-2-[(3-methylphenyl)methoxy]benzoic acid
CID 115298089
2-[[3-[(2-carboxyphenoxy)methyl]phenyl]methoxy]benzoic acid
CID 71356398
2-[(3-methylphenyl)methoxy]-N-phenylbenzamide
CID 18280998
3-[(2,3-dicarboxyphenoxy)methoxy]phthalic acid
CID 166559177
3-methyl-4-[(3-methylphenyl)methoxy]benzoic acid
CID 82051650
2-[(3-methylphenyl)methoxy]-N-propan-2-ylbenzamide
CID 18160109
4-amino-3-[(3-methylphenyl)methoxy]benzoic acid
CID 43379889
N-benzhydryl-2-[(3-methylphenyl)methoxy]benzamide
CID 7930966
2-[(3-fluorophenyl)methoxy]-5-methylbenzoic acid
CID 60652984
3-[(3,4-dimethylphenyl)methoxy]-2-methylbenzoic acid
CID 82826882
N-(2-hydroxyphenyl)-2-[(3-methylphenyl)methoxy]benzamide
CID 25494578
dimethyl 3-[[4-(hydroxymethyl)phenyl]methoxy]benzene-1,2-dicarboxylate;3-[[4-(hydroxymethyl)phenyl]methoxy]phthalic acid
CID 67336513

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylphenyl)methoxy]phthalic acid?
The IUPAC name of 3-[(3-methylphenyl)methoxy]phthalic acid (CID 66906397) is 3-[(3-methylphenyl)methoxy]phthalic acid.
What is the SMILES notation for 3-[(3-methylphenyl)methoxy]phthalic acid?
The canonical SMILES for 3-[(3-methylphenyl)methoxy]phthalic acid is Cc1cccc(COc2cccc(C(=O)O)c2C(=O)O)c1.
What is the InChIKey of 3-[(3-methylphenyl)methoxy]phthalic acid?
The InChIKey is LKZPNVWDYGTPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O5/c1-10-4-2-5-11(8-10)9-21-13-7-3-6-12(15(17)18)14(13)16(19)20/h2-8H,9H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 3-[(3-methylphenyl)methoxy]phthalic acid?
3-[(3-methylphenyl)methoxy]phthalic acid has a molecular weight of 286.28 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylphenyl)methoxy]phthalic acid is sourced from PubChem (CID 66906397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).