4-[(2-methoxyphenyl)methoxy]-7-phenylmethoxynaphthalene-2-carboxylic acid

C26H22O5 — CID 127024734

IUPAC4-[(2-methoxyphenyl)methoxy]-7-phenylmethoxynaphthalene-2-carboxylic acid
SMILESCOc1ccccc1COc1cc(C(=O)O)cc2cc(OCc3ccccc3)ccc12
InChIInChI=1S/C26H22O5/c1-29-24-10-6-5-9-19(24)17-31-25-15-21(26(27)28)13-20-14-22(11-12-23(20)25)30-16-18-7-3-2-4-8-18/h2-15H,16-17H2,1H3,(H,27,28)
InChIKeyOOMVZMBAXRQHKS-UHFFFAOYSA-N
MW414.46 g/mol
LogP5.70
Rot. Bonds8

About 4-[(2-methoxyphenyl)methoxy]-7-phenylmethoxynaphthalene-2-carboxylic acid

4-[(2-methoxyphenyl)methoxy]-7-phenylmethoxynaphthalene-2-carboxylic acid (PubChem CID 127024734) has the molecular formula C26H22O5 and a molecular weight of 414.46 g/mol. Its IUPAC name is 4-[(2-methoxyphenyl)methoxy]-7-phenylmethoxynaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name4-[(2-methoxyphenyl)methoxy]-7-phenylmethoxynaphthalene-2-carboxylic acid
PubChem CID127024734
Molecular FormulaC26H22O5
Molecular Weight414.46 g/mol
Exact Mass414.15
IUPAC Name4-[(2-methoxyphenyl)methoxy]-7-phenylmethoxynaphthalene-2-carboxylic acid
SMILESCOc1ccccc1COc1cc(C(=O)O)cc2cc(OCc3ccccc3)ccc12
InChIInChI=1S/C26H22O5/c1-29-24-10-6-5-9-19(24)17-31-25-15-21(26(27)28)13-20-14-22(11-12-23(20)25)30-16-18-7-3-2-4-8-18/h2-15H,16-17H2,1H3,(H,27,28)
InChIKeyOOMVZMBAXRQHKS-UHFFFAOYSA-N
XLogP5.70
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.46
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-[(2,6-dimethylphenyl)methoxy]-4-[(2-methoxyphenyl)methoxy]naphthalene-2-carboxylic acid
CID 59590506
4,7-dimethoxy-6-phenylmethoxynaphthalene-2-carboxylic acid
CID 73013799
7-phenylmethoxynaphthalene-2-carboxylic acid
CID 22243430
4-(naphthalen-1-ylmethoxy)-2-phenylmethoxybenzoic acid
CID 10596178
3-methoxy-5-[(4-methoxyphenyl)methoxy]-4-phenylmethoxybenzamide
CID 126484008
ethyl 7-phenylmethoxy-4-(trifluoromethylsulfonyloxy)naphthalene-2-carboxylate
CID 59590499
3,5-dimethoxy-4-phenylmethoxybenzoic acid;3,5-dimethoxy-4-phenylmethoxybenzoyl chloride
CID 159259540
3,5-bis(methoxymethoxy)-4-phenylmethoxybenzoic acid
CID 24899884
3-[(2-methoxyphenoxy)methyl]benzoic acid
CID 890775
1-ethyl-2-methoxy-4-phenylmethoxybenzene
CID 130330824
3-methoxy-5-(methylsulfanylmethyl)-4-phenylmethoxybenzoic acid
CID 91678087
methyl 3-methoxy-7-phenylmethoxynaphthalene-2-carboxylate
CID 54308363

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxyphenyl)methoxy]-7-phenylmethoxynaphthalene-2-carboxylic acid?
The IUPAC name of 4-[(2-methoxyphenyl)methoxy]-7-phenylmethoxynaphthalene-2-carboxylic acid (CID 127024734) is 4-[(2-methoxyphenyl)methoxy]-7-phenylmethoxynaphthalene-2-carboxylic acid.
What is the SMILES notation for 4-[(2-methoxyphenyl)methoxy]-7-phenylmethoxynaphthalene-2-carboxylic acid?
The canonical SMILES for 4-[(2-methoxyphenyl)methoxy]-7-phenylmethoxynaphthalene-2-carboxylic acid is COc1ccccc1COc1cc(C(=O)O)cc2cc(OCc3ccccc3)ccc12.
What is the InChIKey of 4-[(2-methoxyphenyl)methoxy]-7-phenylmethoxynaphthalene-2-carboxylic acid?
The InChIKey is OOMVZMBAXRQHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22O5/c1-29-24-10-6-5-9-19(24)17-31-25-15-21(26(27)28)13-20-14-22(11-12-23(20)25)30-16-18-7-3-2-4-8-18/h2-15H,16-17H2,1H3,(H,27,28).
What are the key properties of 4-[(2-methoxyphenyl)methoxy]-7-phenylmethoxynaphthalene-2-carboxylic acid?
4-[(2-methoxyphenyl)methoxy]-7-phenylmethoxynaphthalene-2-carboxylic acid has a molecular weight of 414.46 g/mol, XLogP of 5.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxyphenyl)methoxy]-7-phenylmethoxynaphthalene-2-carboxylic acid is sourced from PubChem (CID 127024734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).