3-methoxy-1-phenylmethoxynaphthalene-2-carboxylic acid

C19H16O4 — CID 54035812

IUPAC3-methoxy-1-phenylmethoxynaphthalene-2-carboxylic acid
SMILESCOc1cc2ccccc2c(OCc2ccccc2)c1C(=O)O
InChIInChI=1S/C19H16O4/c1-22-16-11-14-9-5-6-10-15(14)18(17(16)19(20)21)23-12-13-7-3-2-4-8-13/h2-11H,12H2,1H3,(H,20,21)
InChIKeyLIVWXFBOSJPRDM-UHFFFAOYSA-N
MW308.33 g/mol
LogP4.13
Rot. Bonds5

About 3-methoxy-1-phenylmethoxynaphthalene-2-carboxylic acid

3-methoxy-1-phenylmethoxynaphthalene-2-carboxylic acid (PubChem CID 54035812) has the molecular formula C19H16O4 and a molecular weight of 308.33 g/mol. Its IUPAC name is 3-methoxy-1-phenylmethoxynaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name3-methoxy-1-phenylmethoxynaphthalene-2-carboxylic acid
PubChem CID54035812
Molecular FormulaC19H16O4
Molecular Weight308.33 g/mol
Exact Mass308.10
IUPAC Name3-methoxy-1-phenylmethoxynaphthalene-2-carboxylic acid
SMILESCOc1cc2ccccc2c(OCc2ccccc2)c1C(=O)O
InChIInChI=1S/C19H16O4/c1-22-16-11-14-9-5-6-10-15(14)18(17(16)19(20)21)23-12-13-7-3-2-4-8-13/h2-11H,12H2,1H3,(H,20,21)
InChIKeyLIVWXFBOSJPRDM-UHFFFAOYSA-N
XLogP4.13
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methoxy-1-phenylmethoxynaphthalene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 6334341
CID 6334341
2,4-dimethoxy-6-phenylmethoxybenzoic acid
CID 70481203
4-methoxy-2-methyl-3-phenylmethoxybenzoic acid
CID 141015234
4,7-dimethoxy-6-phenylmethoxynaphthalene-2-carboxylic acid
CID 73013799
methyl 7-methoxy-6-phenylmethoxynaphthalene-1-carboxylate
CID 151132747
3,5-dimethoxy-4-phenylmethoxybenzoic acid;3,5-dimethoxy-4-phenylmethoxybenzoyl chloride
CID 159259540
1-(2,3,6-trimethoxy-4-phenylmethoxyphenyl)ethanone
CID 139365460
1,3-dimethoxynaphthalene-2-carbonyl chloride
CID 21275659
2-methoxy-1-(2-methoxynaphthalen-1-yl)-3-phenylmethoxynaphthalene
CID 172829442
3-methoxy-2-phenylmethoxybenzoyl chloride
CID 22736875
(1-phenylmethoxynaphthalen-2-yl)boronic acid
CID 10755032
5,6-dimethoxy-3-phenylmethoxy-1-benzothiophene-2-carboxylic acid
CID 14673573

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-phenylmethoxynaphthalene-2-carboxylic acid?
The IUPAC name of 3-methoxy-1-phenylmethoxynaphthalene-2-carboxylic acid (CID 54035812) is 3-methoxy-1-phenylmethoxynaphthalene-2-carboxylic acid.
What is the SMILES notation for 3-methoxy-1-phenylmethoxynaphthalene-2-carboxylic acid?
The canonical SMILES for 3-methoxy-1-phenylmethoxynaphthalene-2-carboxylic acid is COc1cc2ccccc2c(OCc2ccccc2)c1C(=O)O.
What is the InChIKey of 3-methoxy-1-phenylmethoxynaphthalene-2-carboxylic acid?
The InChIKey is LIVWXFBOSJPRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O4/c1-22-16-11-14-9-5-6-10-15(14)18(17(16)19(20)21)23-12-13-7-3-2-4-8-13/h2-11H,12H2,1H3,(H,20,21).
What are the key properties of 3-methoxy-1-phenylmethoxynaphthalene-2-carboxylic acid?
3-methoxy-1-phenylmethoxynaphthalene-2-carboxylic acid has a molecular weight of 308.33 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-phenylmethoxynaphthalene-2-carboxylic acid is sourced from PubChem (CID 54035812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).