2-methyl-3-(4-methylnaphthalen-1-yl)benzoic acid

C19H16O2 — CID 53405299

IUPAC2-methyl-3-(4-methylnaphthalen-1-yl)benzoic acid
SMILESCc1c(C(=O)O)cccc1-c1ccc(C)c2ccccc12
InChIInChI=1S/C19H16O2/c1-12-10-11-18(17-7-4-3-6-14(12)17)15-8-5-9-16(13(15)2)19(20)21/h3-11H,1-2H3,(H,20,21)
InChIKeyQWGSLPSBPKZMGV-UHFFFAOYSA-N
MW276.34 g/mol
LogP4.82
Rot. Bonds2

About 2-methyl-3-(4-methylnaphthalen-1-yl)benzoic acid

2-methyl-3-(4-methylnaphthalen-1-yl)benzoic acid (PubChem CID 53405299) has the molecular formula C19H16O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-methyl-3-(4-methylnaphthalen-1-yl)benzoic acid.

Molecular Properties

Compound Name2-methyl-3-(4-methylnaphthalen-1-yl)benzoic acid
PubChem CID53405299
Molecular FormulaC19H16O2
Molecular Weight276.34 g/mol
Exact Mass276.12
IUPAC Name2-methyl-3-(4-methylnaphthalen-1-yl)benzoic acid
SMILESCc1c(C(=O)O)cccc1-c1ccc(C)c2ccccc12
InChIInChI=1S/C19H16O2/c1-12-10-11-18(17-7-4-3-6-14(12)17)15-8-5-9-16(13(15)2)19(20)21/h3-11H,1-2H3,(H,20,21)
InChIKeyQWGSLPSBPKZMGV-UHFFFAOYSA-N
XLogP4.82
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-carboxy-2-methylphenyl)-2-methylbenzoic acid
CID 22140374
2-methylbenzene-1,3-dicarboxylic acid;1-(2-methylphenyl)naphthalene
CID 174256313
3-[2-(3-carboxy-2-methylphenyl)-4-methylphenyl]-2-methylbenzoic acid
CID 157377441
3-(3-methoxycarbonyl-2-methylphenyl)-2-methylbenzoic acid
CID 175198121
5-methoxy-2-(4-methylnaphthalen-1-yl)benzoic acid
CID 53405469
carbonic acid;2-methylbenzene-1,3-dicarboxylic acid
CID 174390462
3-(2,3-dichlorophenyl)-2-methylbenzoic acid
CID 53227646
3-(2-fluoro-3-hydroxyphenyl)-2-methylbenzoic acid
CID 90271210
3-(4-methylnaphthalen-1-yl)pyridine-2-carboxylic acid
CID 107525274
3-(2,4-difluoro-5-methylphenyl)-2-methylbenzoic acid
CID 79731849
2-(4-methylnaphthalen-1-yl)phenol
CID 53405208
2-methyl-3-(2,4,5-trifluorophenyl)benzoic acid
CID 115503084

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4-methylnaphthalen-1-yl)benzoic acid?
The IUPAC name of 2-methyl-3-(4-methylnaphthalen-1-yl)benzoic acid (CID 53405299) is 2-methyl-3-(4-methylnaphthalen-1-yl)benzoic acid.
What is the SMILES notation for 2-methyl-3-(4-methylnaphthalen-1-yl)benzoic acid?
The canonical SMILES for 2-methyl-3-(4-methylnaphthalen-1-yl)benzoic acid is Cc1c(C(=O)O)cccc1-c1ccc(C)c2ccccc12.
What is the InChIKey of 2-methyl-3-(4-methylnaphthalen-1-yl)benzoic acid?
The InChIKey is QWGSLPSBPKZMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O2/c1-12-10-11-18(17-7-4-3-6-14(12)17)15-8-5-9-16(13(15)2)19(20)21/h3-11H,1-2H3,(H,20,21).
What are the key properties of 2-methyl-3-(4-methylnaphthalen-1-yl)benzoic acid?
2-methyl-3-(4-methylnaphthalen-1-yl)benzoic acid has a molecular weight of 276.34 g/mol, XLogP of 4.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-methylnaphthalen-1-yl)benzoic acid is sourced from PubChem (CID 53405299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).