2-(6-methylnaphthalen-2-yl)acetic acid

C13H12O2 — CID 13199360

IUPAC2-(6-methylnaphthalen-2-yl)acetic acid
SMILESCc1ccc2cc(CC(=O)O)ccc2c1
InChIInChI=1S/C13H12O2/c1-9-2-4-12-7-10(8-13(14)15)3-5-11(12)6-9/h2-7H,8H2,1H3,(H,14,15)
InChIKeyNTPMNZZODWAJRC-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.78
Rot. Bonds2

About 2-(6-methylnaphthalen-2-yl)acetic acid

2-(6-methylnaphthalen-2-yl)acetic acid (PubChem CID 13199360) has the molecular formula C13H12O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-(6-methylnaphthalen-2-yl)acetic acid.

Molecular Properties

Compound Name2-(6-methylnaphthalen-2-yl)acetic acid
PubChem CID13199360
Molecular FormulaC13H12O2
Molecular Weight200.24 g/mol
Exact Mass200.08
IUPAC Name2-(6-methylnaphthalen-2-yl)acetic acid
SMILESCc1ccc2cc(CC(=O)O)ccc2c1
InChIInChI=1S/C13H12O2/c1-9-2-4-12-7-10(8-13(14)15)3-5-11(12)6-9/h2-7H,8H2,1H3,(H,14,15)
InChIKeyNTPMNZZODWAJRC-UHFFFAOYSA-N
XLogP2.78
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-naphthalen-2-ylacetic acid;hydrate
CID 141284527
CID 173442082
CID 173442082
lithium;carbanide;2-(4-methylphenyl)acetic acid
CID 161212911
2-isoquinolin-6-ylacetic acid
CID 19098542
1-[(6-methylnaphthalen-2-yl)methyl]cyclopropane-1-carboxylic acid
CID 116928817
3-methyl-2-[(6-methylnaphthalen-2-yl)methyl]butanoic acid
CID 116930730
2-[2-(4-methylphenyl)-1,3-benzothiazol-6-yl]acetic acid
CID 39105357
2-[4-[(6-methylindol-1-yl)methyl]phenyl]acetic acid
CID 105345354
2-[4-(2,5-dimethylphenyl)phenyl]acetic acid
CID 82044426
2-(2-hydroxy-5-methylphenyl)acetic acid
CID 13360645
2-(4-methylphenyl)acetic acid;2-(4-methylphenyl)acetyl chloride
CID 88841488
2-[(6-methylnaphthalen-2-yl)methylamino]acetamide
CID 115259951

Frequently Asked Questions

What is the IUPAC name of 2-(6-methylnaphthalen-2-yl)acetic acid?
The IUPAC name of 2-(6-methylnaphthalen-2-yl)acetic acid (CID 13199360) is 2-(6-methylnaphthalen-2-yl)acetic acid.
What is the SMILES notation for 2-(6-methylnaphthalen-2-yl)acetic acid?
The canonical SMILES for 2-(6-methylnaphthalen-2-yl)acetic acid is Cc1ccc2cc(CC(=O)O)ccc2c1.
What is the InChIKey of 2-(6-methylnaphthalen-2-yl)acetic acid?
The InChIKey is NTPMNZZODWAJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2/c1-9-2-4-12-7-10(8-13(14)15)3-5-11(12)6-9/h2-7H,8H2,1H3,(H,14,15).
What are the key properties of 2-(6-methylnaphthalen-2-yl)acetic acid?
2-(6-methylnaphthalen-2-yl)acetic acid has a molecular weight of 200.24 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylnaphthalen-2-yl)acetic acid is sourced from PubChem (CID 13199360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).