3-(2-naphthalen-2-ylethoxy)benzoic acid

C19H16O3 — CID 139922082

IUPAC3-(2-naphthalen-2-ylethoxy)benzoic acid
SMILESO=C(O)c1cccc(OCCc2ccc3ccccc3c2)c1
InChIInChI=1S/C19H16O3/c20-19(21)17-6-3-7-18(13-17)22-11-10-14-8-9-15-4-1-2-5-16(15)12-14/h1-9,12-13H,10-11H2,(H,20,21)
InChIKeyWKFKFXDTSODFTF-UHFFFAOYSA-N
MW292.33 g/mol
LogP4.16
Rot. Bonds5

About 3-(2-naphthalen-2-ylethoxy)benzoic acid

3-(2-naphthalen-2-ylethoxy)benzoic acid (PubChem CID 139922082) has the molecular formula C19H16O3 and a molecular weight of 292.33 g/mol. Its IUPAC name is 3-(2-naphthalen-2-ylethoxy)benzoic acid.

Molecular Properties

Compound Name3-(2-naphthalen-2-ylethoxy)benzoic acid
PubChem CID139922082
Molecular FormulaC19H16O3
Molecular Weight292.33 g/mol
Exact Mass292.11
IUPAC Name3-(2-naphthalen-2-ylethoxy)benzoic acid
SMILESO=C(O)c1cccc(OCCc2ccc3ccccc3c2)c1
InChIInChI=1S/C19H16O3/c20-19(21)17-6-3-7-18(13-17)22-11-10-14-8-9-15-4-1-2-5-16(15)12-14/h1-9,12-13H,10-11H2,(H,20,21)
InChIKeyWKFKFXDTSODFTF-UHFFFAOYSA-N
XLogP4.16
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(3-benzylphenoxy)ethyl]naphthalene
CID 141063921
(2S)-2-amino-3-[3-(2-naphthalen-2-ylethoxy)phenyl]propanoic acid
CID 69316412
N-naphthalen-2-yl-3-(2-phenylethoxy)benzamide
CID 17232036
3-[2-[3-(2-naphthalen-2-ylethoxy)phenyl]ethylamino]propanoic acid
CID 23121301
3-(2-phenylethoxy)benzamide
CID 17135006
2-[3-(2-naphthalen-2-ylethoxy)phenyl]acetonitrile
CID 141063911
3-naphthalen-2-yloxybenzoic acid
CID 10587676
3-[3-[2-(3,4-dimethoxyphenyl)ethoxy]phenyl]benzoic acid
CID 66858506
3,5-bis(naphthalen-2-ylmethoxy)benzoic acid
CID 170676127
3-[2-[bis[2-(3-carboxyphenoxy)ethyl]amino]ethoxy]benzoic acid
CID 86096219
3-(2-indol-1-ylethoxy)benzoic acid
CID 43532512
3-[4-(4-propan-2-ylphenoxy)butoxy]benzoic acid
CID 82097997

Frequently Asked Questions

What is the IUPAC name of 3-(2-naphthalen-2-ylethoxy)benzoic acid?
The IUPAC name of 3-(2-naphthalen-2-ylethoxy)benzoic acid (CID 139922082) is 3-(2-naphthalen-2-ylethoxy)benzoic acid.
What is the SMILES notation for 3-(2-naphthalen-2-ylethoxy)benzoic acid?
The canonical SMILES for 3-(2-naphthalen-2-ylethoxy)benzoic acid is O=C(O)c1cccc(OCCc2ccc3ccccc3c2)c1.
What is the InChIKey of 3-(2-naphthalen-2-ylethoxy)benzoic acid?
The InChIKey is WKFKFXDTSODFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O3/c20-19(21)17-6-3-7-18(13-17)22-11-10-14-8-9-15-4-1-2-5-16(15)12-14/h1-9,12-13H,10-11H2,(H,20,21).
What are the key properties of 3-(2-naphthalen-2-ylethoxy)benzoic acid?
3-(2-naphthalen-2-ylethoxy)benzoic acid has a molecular weight of 292.33 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-naphthalen-2-ylethoxy)benzoic acid is sourced from PubChem (CID 139922082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).