3,5-bis(naphthalen-2-ylmethoxy)benzoic acid

C29H22O4 — CID 170676127

IUPAC3,5-bis(naphthalen-2-ylmethoxy)benzoic acid
SMILESO=C(O)c1cc(OCc2ccc3ccccc3c2)cc(OCc2ccc3ccccc3c2)c1
InChIInChI=1S/C29H22O4/c30-29(31)26-15-27(32-18-20-9-11-22-5-1-3-7-24(22)13-20)17-28(16-26)33-19-21-10-12-23-6-2-4-8-25(23)14-21/h1-17H,18-19H2,(H,30,31)
InChIKeyWMKMOZBUPGLNBI-UHFFFAOYSA-N
MW434.49 g/mol
LogP6.85
Rot. Bonds7

About 3,5-bis(naphthalen-2-ylmethoxy)benzoic acid

3,5-bis(naphthalen-2-ylmethoxy)benzoic acid (PubChem CID 170676127) has the molecular formula C29H22O4 and a molecular weight of 434.49 g/mol. Its IUPAC name is 3,5-bis(naphthalen-2-ylmethoxy)benzoic acid.

Molecular Properties

Compound Name3,5-bis(naphthalen-2-ylmethoxy)benzoic acid
PubChem CID170676127
Molecular FormulaC29H22O4
Molecular Weight434.49 g/mol
Exact Mass434.15
IUPAC Name3,5-bis(naphthalen-2-ylmethoxy)benzoic acid
SMILESO=C(O)c1cc(OCc2ccc3ccccc3c2)cc(OCc2ccc3ccccc3c2)c1
InChIInChI=1S/C29H22O4/c30-29(31)26-15-27(32-18-20-9-11-22-5-1-3-7-24(22)13-20)17-28(16-26)33-19-21-10-12-23-6-2-4-8-25(23)14-21/h1-17H,18-19H2,(H,30,31)
InChIKeyWMKMOZBUPGLNBI-UHFFFAOYSA-N
XLogP6.85
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.49
LogP ≤ 56.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-bis[4-[[3,5-bis[[3,5-bis(naphthalen-2-ylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]ethane-1,2-dione
CID 102382632
[4-(naphthalen-2-ylmethoxy)phenyl]-phenylmethanone
CID 18956599
3-(2-methoxyethoxy)-5-phenylmethoxybenzoic acid
CID 21250893
benzyl 3,5-bis(phenylmethoxy)benzoate;3,5-dihydroxybenzoic acid
CID 158844750
3-fluoro-5-phenylmethoxybenzoic acid
CID 18971714
7-phenylmethoxynaphthalene-2-carboxylic acid
CID 22243430
3-(2-naphthalen-2-ylethoxy)benzoic acid
CID 139922082
methyl acetate;[4-(naphthalen-2-ylmethoxy)phenyl]-phenylmethanone
CID 172781894
ethane;3-fluoro-5-phenylmethoxybenzoic acid
CID 144722944
3,5-bis(phenylmethoxy)benzoate
CID 6986896
2-[4-(naphthalen-2-yloxymethyl)phenyl]acetic acid
CID 20984477
[3,5-bis[[3,5-bis[(4-benzoylphenyl)methoxy]phenyl]methoxy]phenyl]methyl naphthalene-2-carboxylate
CID 101399905

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(naphthalen-2-ylmethoxy)benzoic acid?
The IUPAC name of 3,5-bis(naphthalen-2-ylmethoxy)benzoic acid (CID 170676127) is 3,5-bis(naphthalen-2-ylmethoxy)benzoic acid.
What is the SMILES notation for 3,5-bis(naphthalen-2-ylmethoxy)benzoic acid?
The canonical SMILES for 3,5-bis(naphthalen-2-ylmethoxy)benzoic acid is O=C(O)c1cc(OCc2ccc3ccccc3c2)cc(OCc2ccc3ccccc3c2)c1.
What is the InChIKey of 3,5-bis(naphthalen-2-ylmethoxy)benzoic acid?
The InChIKey is WMKMOZBUPGLNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22O4/c30-29(31)26-15-27(32-18-20-9-11-22-5-1-3-7-24(22)13-20)17-28(16-26)33-19-21-10-12-23-6-2-4-8-25(23)14-21/h1-17H,18-19H2,(H,30,31).
What are the key properties of 3,5-bis(naphthalen-2-ylmethoxy)benzoic acid?
3,5-bis(naphthalen-2-ylmethoxy)benzoic acid has a molecular weight of 434.49 g/mol, XLogP of 6.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(naphthalen-2-ylmethoxy)benzoic acid is sourced from PubChem (CID 170676127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).