2-(6-methoxynaphthalen-1-yl)acetic acid

C13H12O3 — CID 10398394

IUPAC2-(6-methoxynaphthalen-1-yl)acetic acid
SMILESCOc1ccc2c(CC(=O)O)cccc2c1
InChIInChI=1S/C13H12O3/c1-16-11-5-6-12-9(7-11)3-2-4-10(12)8-13(14)15/h2-7H,8H2,1H3,(H,14,15)
InChIKeyLOWWSYWGAKCKLG-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.48
Rot. Bonds3

About 2-(6-methoxynaphthalen-1-yl)acetic acid

2-(6-methoxynaphthalen-1-yl)acetic acid (PubChem CID 10398394) has the molecular formula C13H12O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-(6-methoxynaphthalen-1-yl)acetic acid.

Molecular Properties

Compound Name2-(6-methoxynaphthalen-1-yl)acetic acid
PubChem CID10398394
Molecular FormulaC13H12O3
Molecular Weight216.24 g/mol
Exact Mass216.08
IUPAC Name2-(6-methoxynaphthalen-1-yl)acetic acid
SMILESCOc1ccc2c(CC(=O)O)cccc2c1
InChIInChI=1S/C13H12O3/c1-16-11-5-6-12-9(7-11)3-2-4-10(12)8-13(14)15/h2-7H,8H2,1H3,(H,14,15)
InChIKeyLOWWSYWGAKCKLG-UHFFFAOYSA-N
XLogP2.48
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(6-methoxynaphthalen-1-yl)methanethiol
CID 45117105
1-(3-bromopropyl)-6-methoxynaphthalene
CID 11514645
acetic acid;2-naphthalen-1-ylacetic acid
CID 67744523
(6-methoxynaphthalen-1-yl) acetate
CID 11424471
2-(1,3-dihydroxy-6-methoxynaphthalen-2-yl)acetic acid
CID 91153958
1-(7-methoxynaphthalen-1-yl)-3-methylbut-3-en-2-one
CID 113325070
tetrakis(2-naphthalen-1-ylacetic acid);samarium
CID 175232376
N-[(3-methoxyphenyl)methyl]-2-naphthalen-1-ylacetamide
CID 2086540
potassium;2-naphthalen-1-ylacetic acid;hydroxide
CID 174974988
4-(6-methoxynaphthalen-1-yl)butane-1,3-diamine
CID 57131383
2-(7-butoxynaphthalen-1-yl)acetic acid
CID 19085996
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;propanedioic acid
CID 71477284

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxynaphthalen-1-yl)acetic acid?
The IUPAC name of 2-(6-methoxynaphthalen-1-yl)acetic acid (CID 10398394) is 2-(6-methoxynaphthalen-1-yl)acetic acid.
What is the SMILES notation for 2-(6-methoxynaphthalen-1-yl)acetic acid?
The canonical SMILES for 2-(6-methoxynaphthalen-1-yl)acetic acid is COc1ccc2c(CC(=O)O)cccc2c1.
What is the InChIKey of 2-(6-methoxynaphthalen-1-yl)acetic acid?
The InChIKey is LOWWSYWGAKCKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3/c1-16-11-5-6-12-9(7-11)3-2-4-10(12)8-13(14)15/h2-7H,8H2,1H3,(H,14,15).
What are the key properties of 2-(6-methoxynaphthalen-1-yl)acetic acid?
2-(6-methoxynaphthalen-1-yl)acetic acid has a molecular weight of 216.24 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxynaphthalen-1-yl)acetic acid is sourced from PubChem (CID 10398394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).