4-(naphthalen-1-ylmethoxy)-2-phenylmethoxybenzoic acid

C25H20O4 — CID 10596178

IUPAC4-(naphthalen-1-ylmethoxy)-2-phenylmethoxybenzoic acid
SMILESO=C(O)c1ccc(OCc2cccc3ccccc23)cc1OCc1ccccc1
InChIInChI=1S/C25H20O4/c26-25(27)23-14-13-21(15-24(23)29-16-18-7-2-1-3-8-18)28-17-20-11-6-10-19-9-4-5-12-22(19)20/h1-15H,16-17H2,(H,26,27)
InChIKeyJUMIXXOMMGPRCK-UHFFFAOYSA-N
MW384.43 g/mol
LogP5.70
Rot. Bonds7

About 4-(naphthalen-1-ylmethoxy)-2-phenylmethoxybenzoic acid

4-(naphthalen-1-ylmethoxy)-2-phenylmethoxybenzoic acid (PubChem CID 10596178) has the molecular formula C25H20O4 and a molecular weight of 384.43 g/mol. Its IUPAC name is 4-(naphthalen-1-ylmethoxy)-2-phenylmethoxybenzoic acid.

Molecular Properties

Compound Name4-(naphthalen-1-ylmethoxy)-2-phenylmethoxybenzoic acid
PubChem CID10596178
Molecular FormulaC25H20O4
Molecular Weight384.43 g/mol
Exact Mass384.14
IUPAC Name4-(naphthalen-1-ylmethoxy)-2-phenylmethoxybenzoic acid
SMILESO=C(O)c1ccc(OCc2cccc3ccccc23)cc1OCc1ccccc1
InChIInChI=1S/C25H20O4/c26-25(27)23-14-13-21(15-24(23)29-16-18-7-2-1-3-8-18)28-17-20-11-6-10-19-9-4-5-12-22(19)20/h1-15H,16-17H2,(H,26,27)
InChIKeyJUMIXXOMMGPRCK-UHFFFAOYSA-N
XLogP5.70
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.43
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(naphthalen-1-ylmethoxy)-4-(trifluoromethoxy)benzoic acid
CID 46202947
4-(cyclobutylmethyl)-2-(naphthalen-1-ylmethoxy)benzoic acid
CID 58521525
4-(3,4-dichlorophenyl)-2-(naphthalen-1-ylmethoxy)benzoic acid
CID 58521508
4-(cycloheptylmethyl)-2-(naphthalen-1-ylmethoxy)benzoic acid
CID 58521526
4-(3-methoxypropyl)-2-(naphthalen-1-ylmethoxy)benzoic acid
CID 58521492
2-(2-methylpropoxy)-4-phenylmethoxybenzoic acid
CID 10709345
4-[(4-methylcyclohexyl)methyl]-2-(naphthalen-1-ylmethoxy)benzoic acid
CID 58521522
CID 67883357
CID 67883357
ethane;4-phenylmethoxyphthalic acid
CID 90802135
4-[(2-methylpyrazol-3-yl)methyl]-2-(naphthalen-1-ylmethoxy)benzoic acid
CID 58521501
2-(naphthalen-1-yloxymethyl)benzoic acid
CID 43473128
2-carboxy-5-phenylmethoxyphenolate
CID 86309199

Frequently Asked Questions

What is the IUPAC name of 4-(naphthalen-1-ylmethoxy)-2-phenylmethoxybenzoic acid?
The IUPAC name of 4-(naphthalen-1-ylmethoxy)-2-phenylmethoxybenzoic acid (CID 10596178) is 4-(naphthalen-1-ylmethoxy)-2-phenylmethoxybenzoic acid.
What is the SMILES notation for 4-(naphthalen-1-ylmethoxy)-2-phenylmethoxybenzoic acid?
The canonical SMILES for 4-(naphthalen-1-ylmethoxy)-2-phenylmethoxybenzoic acid is O=C(O)c1ccc(OCc2cccc3ccccc23)cc1OCc1ccccc1.
What is the InChIKey of 4-(naphthalen-1-ylmethoxy)-2-phenylmethoxybenzoic acid?
The InChIKey is JUMIXXOMMGPRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20O4/c26-25(27)23-14-13-21(15-24(23)29-16-18-7-2-1-3-8-18)28-17-20-11-6-10-19-9-4-5-12-22(19)20/h1-15H,16-17H2,(H,26,27).
What are the key properties of 4-(naphthalen-1-ylmethoxy)-2-phenylmethoxybenzoic acid?
4-(naphthalen-1-ylmethoxy)-2-phenylmethoxybenzoic acid has a molecular weight of 384.43 g/mol, XLogP of 5.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(naphthalen-1-ylmethoxy)-2-phenylmethoxybenzoic acid is sourced from PubChem (CID 10596178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).