4-methoxy-3-(naphthalen-1-ylmethoxy)benzoic acid

C19H16O4 — CID 20986648

IUPAC4-methoxy-3-(naphthalen-1-ylmethoxy)benzoic acid
SMILESCOc1ccc(C(=O)O)cc1OCc1cccc2ccccc12
InChIInChI=1S/C19H16O4/c1-22-17-10-9-14(19(20)21)11-18(17)23-12-15-7-4-6-13-5-2-3-8-16(13)15/h2-11H,12H2,1H3,(H,20,21)
InChIKeyYAHNOMIFUAEXJS-UHFFFAOYSA-N
MW308.33 g/mol
LogP4.13
Rot. Bonds5

About 4-methoxy-3-(naphthalen-1-ylmethoxy)benzoic acid

4-methoxy-3-(naphthalen-1-ylmethoxy)benzoic acid (PubChem CID 20986648) has the molecular formula C19H16O4 and a molecular weight of 308.33 g/mol. Its IUPAC name is 4-methoxy-3-(naphthalen-1-ylmethoxy)benzoic acid.

Molecular Properties

Compound Name4-methoxy-3-(naphthalen-1-ylmethoxy)benzoic acid
PubChem CID20986648
Molecular FormulaC19H16O4
Molecular Weight308.33 g/mol
Exact Mass308.10
IUPAC Name4-methoxy-3-(naphthalen-1-ylmethoxy)benzoic acid
SMILESCOc1ccc(C(=O)O)cc1OCc1cccc2ccccc12
InChIInChI=1S/C19H16O4/c1-22-17-10-9-14(19(20)21)11-18(17)23-12-15-7-4-6-13-5-2-3-8-16(13)15/h2-11H,12H2,1H3,(H,20,21)
InChIKeyYAHNOMIFUAEXJS-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

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Related Compounds

ethyl 4-methoxy-3-(naphthalen-1-ylmethoxy)benzoate
CID 91682838
(E)-3-[4-methoxy-3-(naphthalen-1-ylmethoxy)phenyl]prop-2-enoic acid
CID 42232065
naphthalen-1-ylmethyl 3-ethoxy-4-methoxybenzoate
CID 7906497
4-[[4-methoxy-3-(naphthalen-1-ylmethoxy)phenyl]methylamino]-4-oxobutanoic acid
CID 20989299
4-methoxy-3-(quinolin-2-ylmethoxy)benzoic acid
CID 5074844
N-[4-methoxy-3-(naphthalen-1-ylmethoxy)phenyl]-N-naphthalen-2-ylacetamide
CID 18763422
CID 67883357
CID 67883357
4-[(2,3-difluorophenyl)methoxy]-3-methoxybenzoic acid
CID 43233816
8-[(4-carboxy-2-methoxyphenyl)methyl]naphthalene-2-carboxylic acid
CID 67896407
3-fluoro-4-[(2-methoxyphenoxy)methyl]benzoic acid
CID 63072909
3-chloro-4-(naphthalen-1-ylmethoxy)benzoyl chloride
CID 91683497
3-[(2-methoxyphenoxy)methyl]-1H-indole-6-carboxylic acid
CID 117178684

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(naphthalen-1-ylmethoxy)benzoic acid?
The IUPAC name of 4-methoxy-3-(naphthalen-1-ylmethoxy)benzoic acid (CID 20986648) is 4-methoxy-3-(naphthalen-1-ylmethoxy)benzoic acid.
What is the SMILES notation for 4-methoxy-3-(naphthalen-1-ylmethoxy)benzoic acid?
The canonical SMILES for 4-methoxy-3-(naphthalen-1-ylmethoxy)benzoic acid is COc1ccc(C(=O)O)cc1OCc1cccc2ccccc12.
What is the InChIKey of 4-methoxy-3-(naphthalen-1-ylmethoxy)benzoic acid?
The InChIKey is YAHNOMIFUAEXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O4/c1-22-17-10-9-14(19(20)21)11-18(17)23-12-15-7-4-6-13-5-2-3-8-16(13)15/h2-11H,12H2,1H3,(H,20,21).
What are the key properties of 4-methoxy-3-(naphthalen-1-ylmethoxy)benzoic acid?
4-methoxy-3-(naphthalen-1-ylmethoxy)benzoic 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 4-methoxy-3-(naphthalen-1-ylmethoxy)benzoic acid is sourced from PubChem (CID 20986648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).