2-methyl-6-[(3-methylnaphthalen-1-yl)methyl]benzoic acid

C20H18O2 — CID 125468187

IUPAC2-methyl-6-[(3-methylnaphthalen-1-yl)methyl]benzoic acid
SMILESCc1cc(Cc2cccc(C)c2C(=O)O)c2ccccc2c1
InChIInChI=1S/C20H18O2/c1-13-10-15-7-3-4-9-18(15)17(11-13)12-16-8-5-6-14(2)19(16)20(21)22/h3-11H,12H2,1-2H3,(H,21,22)
InChIKeyJTCJBPIOSIDYAJ-UHFFFAOYSA-N
MW290.36 g/mol
LogP4.75
Rot. Bonds3

About 2-methyl-6-[(3-methylnaphthalen-1-yl)methyl]benzoic acid

2-methyl-6-[(3-methylnaphthalen-1-yl)methyl]benzoic acid (PubChem CID 125468187) has the molecular formula C20H18O2 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-methyl-6-[(3-methylnaphthalen-1-yl)methyl]benzoic acid.

Molecular Properties

Compound Name2-methyl-6-[(3-methylnaphthalen-1-yl)methyl]benzoic acid
PubChem CID125468187
Molecular FormulaC20H18O2
Molecular Weight290.36 g/mol
Exact Mass290.13
IUPAC Name2-methyl-6-[(3-methylnaphthalen-1-yl)methyl]benzoic acid
SMILESCc1cc(Cc2cccc(C)c2C(=O)O)c2ccccc2c1
InChIInChI=1S/C20H18O2/c1-13-10-15-7-3-4-9-18(15)17(11-13)12-16-8-5-6-14(2)19(16)20(21)22/h3-11H,12H2,1-2H3,(H,21,22)
InChIKeyJTCJBPIOSIDYAJ-UHFFFAOYSA-N
XLogP4.75
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

azane;1-benzyl-3-methylnaphthalene
CID 174691048
2-methyl-6-[[3-[(3-methylnaphthalen-2-yl)methoxy]phenoxy]methyl]benzoic acid
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carbonic acid;1-methylnaphthalene
CID 66808059
3-methyl-1-[(3-methylphenanthren-1-yl)methyl]phenanthrene
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1-amino-3-methylnaphthalene-2-carboxylic acid
CID 45089580
3-amino-2-methylnaphthalene-1-carboxylic acid
CID 154166226
2,3-dibenzylnaphthalene-1-carboxylic acid
CID 141413353
acetic acid;2-naphthalen-1-ylacetic acid
CID 67744523
tetrakis(2-naphthalen-1-ylacetic acid);samarium
CID 175232376
1-ethyl-2-iodo-3-methylbenzene;2-ethyl-6-methylbenzoic acid;methane
CID 160931095
5-methylbenzene-1,3-dicarboxylic acid;naphthalen-1-ol
CID 158292153
2-methyl-6-[(3-phenylmethoxyphenoxy)methyl]benzoic acid
CID 22241425

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(3-methylnaphthalen-1-yl)methyl]benzoic acid?
The IUPAC name of 2-methyl-6-[(3-methylnaphthalen-1-yl)methyl]benzoic acid (CID 125468187) is 2-methyl-6-[(3-methylnaphthalen-1-yl)methyl]benzoic acid.
What is the SMILES notation for 2-methyl-6-[(3-methylnaphthalen-1-yl)methyl]benzoic acid?
The canonical SMILES for 2-methyl-6-[(3-methylnaphthalen-1-yl)methyl]benzoic acid is Cc1cc(Cc2cccc(C)c2C(=O)O)c2ccccc2c1.
What is the InChIKey of 2-methyl-6-[(3-methylnaphthalen-1-yl)methyl]benzoic acid?
The InChIKey is JTCJBPIOSIDYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O2/c1-13-10-15-7-3-4-9-18(15)17(11-13)12-16-8-5-6-14(2)19(16)20(21)22/h3-11H,12H2,1-2H3,(H,21,22).
What are the key properties of 2-methyl-6-[(3-methylnaphthalen-1-yl)methyl]benzoic acid?
2-methyl-6-[(3-methylnaphthalen-1-yl)methyl]benzoic acid has a molecular weight of 290.36 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(3-methylnaphthalen-1-yl)methyl]benzoic acid is sourced from PubChem (CID 125468187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).