4,7-dimethoxy-6-phenylmethoxynaphthalene-2-carboxylic acid

C20H18O5 — CID 73013799

IUPAC4,7-dimethoxy-6-phenylmethoxynaphthalene-2-carboxylic acid
SMILESCOc1cc2cc(C(=O)O)cc(OC)c2cc1OCc1ccccc1
InChIInChI=1S/C20H18O5/c1-23-17-10-15(20(21)22)8-14-9-18(24-2)19(11-16(14)17)25-12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,21,22)
InChIKeyFPFAZTOYHNKHJP-UHFFFAOYSA-N
MW338.36 g/mol
LogP4.13
Rot. Bonds6

About 4,7-dimethoxy-6-phenylmethoxynaphthalene-2-carboxylic acid

4,7-dimethoxy-6-phenylmethoxynaphthalene-2-carboxylic acid (PubChem CID 73013799) has the molecular formula C20H18O5 and a molecular weight of 338.36 g/mol. Its IUPAC name is 4,7-dimethoxy-6-phenylmethoxynaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name4,7-dimethoxy-6-phenylmethoxynaphthalene-2-carboxylic acid
PubChem CID73013799
Molecular FormulaC20H18O5
Molecular Weight338.36 g/mol
Exact Mass338.12
IUPAC Name4,7-dimethoxy-6-phenylmethoxynaphthalene-2-carboxylic acid
SMILESCOc1cc2cc(C(=O)O)cc(OC)c2cc1OCc1ccccc1
InChIInChI=1S/C20H18O5/c1-23-17-10-15(20(21)22)8-14-9-18(24-2)19(11-16(14)17)25-12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,21,22)
InChIKeyFPFAZTOYHNKHJP-UHFFFAOYSA-N
XLogP4.13
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethoxy-4-phenylmethoxybenzoic acid;3,5-dimethoxy-4-phenylmethoxybenzoyl chloride
CID 159259540
4-[(2-methoxyphenyl)methoxy]-7-phenylmethoxynaphthalene-2-carboxylic acid
CID 127024734
methyl 7-methoxy-6-phenylmethoxynaphthalene-1-carboxylate
CID 151132747
1-(4-methoxy-3-phenylmethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione
CID 141465485
3-methoxy-5-(methylsulfanylmethyl)-4-phenylmethoxybenzoic acid
CID 91678087
4-hydroxy-6-methoxy-7-phenylmethoxy-1H-benzo[f][2]benzofuran-3-one
CID 142720681
2-acetyl-4-methoxy-5-phenylmethoxybenzoic acid
CID 91863757
4-methoxy-3-phenylmethoxybenzamide
CID 22467475
(3,5-dimethoxy-4-phenylmethoxyphenyl)-pyrrolidin-1-ylmethanone
CID 826425
3,5-bis(methoxymethoxy)-4-phenylmethoxybenzoic acid
CID 24899884
3-[(2-methoxyphenoxy)methyl]benzoic acid
CID 890775
3-methoxy-1-phenylmethoxynaphthalene-2-carboxylic acid
CID 54035812

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethoxy-6-phenylmethoxynaphthalene-2-carboxylic acid?
The IUPAC name of 4,7-dimethoxy-6-phenylmethoxynaphthalene-2-carboxylic acid (CID 73013799) is 4,7-dimethoxy-6-phenylmethoxynaphthalene-2-carboxylic acid.
What is the SMILES notation for 4,7-dimethoxy-6-phenylmethoxynaphthalene-2-carboxylic acid?
The canonical SMILES for 4,7-dimethoxy-6-phenylmethoxynaphthalene-2-carboxylic acid is COc1cc2cc(C(=O)O)cc(OC)c2cc1OCc1ccccc1.
What is the InChIKey of 4,7-dimethoxy-6-phenylmethoxynaphthalene-2-carboxylic acid?
The InChIKey is FPFAZTOYHNKHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O5/c1-23-17-10-15(20(21)22)8-14-9-18(24-2)19(11-16(14)17)25-12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,21,22).
What are the key properties of 4,7-dimethoxy-6-phenylmethoxynaphthalene-2-carboxylic acid?
4,7-dimethoxy-6-phenylmethoxynaphthalene-2-carboxylic acid has a molecular weight of 338.36 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethoxy-6-phenylmethoxynaphthalene-2-carboxylic acid is sourced from PubChem (CID 73013799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).