5-methoxy-2-[4-(methoxymethyl)benzoyl]benzoic acid

C17H16O5 — CID 69214250

IUPAC5-methoxy-2-[4-(methoxymethyl)benzoyl]benzoic acid
SMILESCOCc1ccc(C(=O)c2ccc(OC)cc2C(=O)O)cc1
InChIInChI=1S/C17H16O5/c1-21-10-11-3-5-12(6-4-11)16(18)14-8-7-13(22-2)9-15(14)17(19)20/h3-9H,10H2,1-2H3,(H,19,20)
InChIKeyFESIKEPAFFHSHW-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.77
Rot. Bonds6

About 5-methoxy-2-[4-(methoxymethyl)benzoyl]benzoic acid

5-methoxy-2-[4-(methoxymethyl)benzoyl]benzoic acid (PubChem CID 69214250) has the molecular formula C17H16O5 and a molecular weight of 300.31 g/mol. Its IUPAC name is 5-methoxy-2-[4-(methoxymethyl)benzoyl]benzoic acid.

Molecular Properties

Compound Name5-methoxy-2-[4-(methoxymethyl)benzoyl]benzoic acid
PubChem CID69214250
Molecular FormulaC17H16O5
Molecular Weight300.31 g/mol
Exact Mass300.10
IUPAC Name5-methoxy-2-[4-(methoxymethyl)benzoyl]benzoic acid
SMILESCOCc1ccc(C(=O)c2ccc(OC)cc2C(=O)O)cc1
InChIInChI=1S/C17H16O5/c1-21-10-11-3-5-12(6-4-11)16(18)14-8-7-13(22-2)9-15(14)17(19)20/h3-9H,10H2,1-2H3,(H,19,20)
InChIKeyFESIKEPAFFHSHW-UHFFFAOYSA-N
XLogP2.77
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-2-(4-phenylbenzoyl)benzoic acid
CID 69209013
4-(2-hydroxy-4-methoxybenzoyl)benzoic acid
CID 22162022
CID 172864174
CID 172864174
2-(4-methoxybenzoyl)-4-methylbenzoic acid
CID 69212990
7-methoxy-3-(6-methoxynaphthalene-2-carbonyl)naphthalene-2-carboxylic acid
CID 54292722
4-(2-hydroxy-4-methoxybenzoyl)benzenesulfonic acid
CID 101277642
(2-hydroxy-4-methoxyphenyl)-phenylmethanone;(4-methoxyphenyl)-phenylmethanone
CID 159601745
2-[(4-chlorophenyl)methoxy]-4-methoxybenzoic acid
CID 20991387
CID 175499515
CID 175499515
4-[[4-(4-carboxyphenoxy)phenyl]methoxy]phthalic acid
CID 141018936
(2-hydroxy-4-methoxyphenyl)-(4-phenylphenyl)methanone
CID 13466519
2-[(4-chlorophenyl)methoxy]-5-methoxybenzoic acid
CID 43212927

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[4-(methoxymethyl)benzoyl]benzoic acid?
The IUPAC name of 5-methoxy-2-[4-(methoxymethyl)benzoyl]benzoic acid (CID 69214250) is 5-methoxy-2-[4-(methoxymethyl)benzoyl]benzoic acid.
What is the SMILES notation for 5-methoxy-2-[4-(methoxymethyl)benzoyl]benzoic acid?
The canonical SMILES for 5-methoxy-2-[4-(methoxymethyl)benzoyl]benzoic acid is COCc1ccc(C(=O)c2ccc(OC)cc2C(=O)O)cc1.
What is the InChIKey of 5-methoxy-2-[4-(methoxymethyl)benzoyl]benzoic acid?
The InChIKey is FESIKEPAFFHSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O5/c1-21-10-11-3-5-12(6-4-11)16(18)14-8-7-13(22-2)9-15(14)17(19)20/h3-9H,10H2,1-2H3,(H,19,20).
What are the key properties of 5-methoxy-2-[4-(methoxymethyl)benzoyl]benzoic acid?
5-methoxy-2-[4-(methoxymethyl)benzoyl]benzoic acid has a molecular weight of 300.31 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[4-(methoxymethyl)benzoyl]benzoic acid is sourced from PubChem (CID 69214250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).