2-[4-(naphthalen-2-yloxymethyl)phenyl]acetic acid

C19H16O3 — CID 20984477

IUPAC2-[4-(naphthalen-2-yloxymethyl)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(COc2ccc3ccccc3c2)cc1
InChIInChI=1S/C19H16O3/c20-19(21)11-14-5-7-15(8-6-14)13-22-18-10-9-16-3-1-2-4-17(16)12-18/h1-10,12H,11,13H2,(H,20,21)
InChIKeyJGJLNRAOGDBYEM-UHFFFAOYSA-N
MW292.33 g/mol
LogP4.05
Rot. Bonds5

About 2-[4-(naphthalen-2-yloxymethyl)phenyl]acetic acid

2-[4-(naphthalen-2-yloxymethyl)phenyl]acetic acid (PubChem CID 20984477) has the molecular formula C19H16O3 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-[4-(naphthalen-2-yloxymethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(naphthalen-2-yloxymethyl)phenyl]acetic acid
PubChem CID20984477
Molecular FormulaC19H16O3
Molecular Weight292.33 g/mol
Exact Mass292.11
IUPAC Name2-[4-(naphthalen-2-yloxymethyl)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(COc2ccc3ccccc3c2)cc1
InChIInChI=1S/C19H16O3/c20-19(21)11-14-5-7-15(8-6-14)13-22-18-10-9-16-3-1-2-4-17(16)12-18/h1-10,12H,11,13H2,(H,20,21)
InChIKeyJGJLNRAOGDBYEM-UHFFFAOYSA-N
XLogP4.05
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 ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(phenoxymethyl)phenyl]acetic acid
CID 12832053
2-naphthalen-2-ylacetic acid;hydrate
CID 141284527
CID 173442082
CID 173442082
2-[4-[(3-ethoxyphenoxy)methyl]phenyl]acetic acid
CID 105344950
7-phenylmethoxynaphthalene-2-carboxylic acid
CID 22243430
2-[2,5-bis(phenylmethoxy)phenyl]acetic acid
CID 14802088
naphthalene;2-phenylacetic acid
CID 174965541
2-(2-chloro-4-phenylmethoxyphenyl)acetic acid
CID 4241746
2-[4-[(3-acetylphenoxy)methyl]phenyl]acetic acid
CID 105344808
2-[4-(phenylmethoxymethoxy)phenyl]acetic acid
CID 102939339
[4-(naphthalen-2-ylmethoxy)phenyl]-phenylmethanone
CID 18956599
2-[2-(naphthalen-2-yloxymethyl)-1,3-thiazol-4-yl]acetic acid
CID 46741059

Frequently Asked Questions

What is the IUPAC name of 2-[4-(naphthalen-2-yloxymethyl)phenyl]acetic acid?
The IUPAC name of 2-[4-(naphthalen-2-yloxymethyl)phenyl]acetic acid (CID 20984477) is 2-[4-(naphthalen-2-yloxymethyl)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(naphthalen-2-yloxymethyl)phenyl]acetic acid?
The canonical SMILES for 2-[4-(naphthalen-2-yloxymethyl)phenyl]acetic acid is O=C(O)Cc1ccc(COc2ccc3ccccc3c2)cc1.
What is the InChIKey of 2-[4-(naphthalen-2-yloxymethyl)phenyl]acetic acid?
The InChIKey is JGJLNRAOGDBYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O3/c20-19(21)11-14-5-7-15(8-6-14)13-22-18-10-9-16-3-1-2-4-17(16)12-18/h1-10,12H,11,13H2,(H,20,21).
What are the key properties of 2-[4-(naphthalen-2-yloxymethyl)phenyl]acetic acid?
2-[4-(naphthalen-2-yloxymethyl)phenyl]acetic acid has a molecular weight of 292.33 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(naphthalen-2-yloxymethyl)phenyl]acetic acid is sourced from PubChem (CID 20984477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).