3-(2-methylphenyl)naphthalene-2-carboxylic acid

C18H14O2 — CID 171127461

IUPAC3-(2-methylphenyl)naphthalene-2-carboxylic acid
SMILESCc1ccccc1-c1cc2ccccc2cc1C(=O)O
InChIInChI=1S/C18H14O2/c1-12-6-2-5-9-15(12)16-10-13-7-3-4-8-14(13)11-17(16)18(19)20/h2-11H,1H3,(H,19,20)
InChIKeyPHYXHXYUUOYPJG-UHFFFAOYSA-N
MW262.31 g/mol
LogP4.51
Rot. Bonds2

About 3-(2-methylphenyl)naphthalene-2-carboxylic acid

3-(2-methylphenyl)naphthalene-2-carboxylic acid (PubChem CID 171127461) has the molecular formula C18H14O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-(2-methylphenyl)naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name3-(2-methylphenyl)naphthalene-2-carboxylic acid
PubChem CID171127461
Molecular FormulaC18H14O2
Molecular Weight262.31 g/mol
Exact Mass262.10
IUPAC Name3-(2-methylphenyl)naphthalene-2-carboxylic acid
SMILESCc1ccccc1-c1cc2ccccc2cc1C(=O)O
InChIInChI=1S/C18H14O2/c1-12-6-2-5-9-15(12)16-10-13-7-3-4-8-14(13)11-17(16)18(19)20/h2-11H,1H3,(H,19,20)
InChIKeyPHYXHXYUUOYPJG-UHFFFAOYSA-N
XLogP4.51
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-fluorophenyl)naphthalene-2-carboxylic acid
CID 171127463
4-chloro-2-(2-methylphenyl)benzoic acid
CID 53224862
carbonic acid;1-methyl-2-(2-methylphenyl)benzene
CID 67741238
4-tert-butyl-2-(2-methylphenyl)benzoic acid
CID 20627859
2-methylbenzene-1,3-dicarboxylic acid;1-(2-methylphenyl)naphthalene
CID 174256313
4-(hydroxymethyl)-2-(2-methylphenyl)benzoic acid
CID 10633904
2,3-dimethyl-5-(2-methylphenyl)terephthalic acid
CID 87134635
1-hydroxy-3-(2-methylphenyl)naphthalene-2-carboxylic acid
CID 67376724
5-fluoro-2-(2-fluoro-3-methylphenyl)-4-methylbenzoic acid
CID 172914042
2-ethyl-3-(2-methylphenyl)naphthalene
CID 148544062
2,5-bis(2-carboxyphenyl)terephthalic acid
CID 15619214
2-iodo-4-methoxycarbonyl-5-(2-methylphenyl)benzoic acid
CID 23436218

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)naphthalene-2-carboxylic acid?
The IUPAC name of 3-(2-methylphenyl)naphthalene-2-carboxylic acid (CID 171127461) is 3-(2-methylphenyl)naphthalene-2-carboxylic acid.
What is the SMILES notation for 3-(2-methylphenyl)naphthalene-2-carboxylic acid?
The canonical SMILES for 3-(2-methylphenyl)naphthalene-2-carboxylic acid is Cc1ccccc1-c1cc2ccccc2cc1C(=O)O.
What is the InChIKey of 3-(2-methylphenyl)naphthalene-2-carboxylic acid?
The InChIKey is PHYXHXYUUOYPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O2/c1-12-6-2-5-9-15(12)16-10-13-7-3-4-8-14(13)11-17(16)18(19)20/h2-11H,1H3,(H,19,20).
What are the key properties of 3-(2-methylphenyl)naphthalene-2-carboxylic acid?
3-(2-methylphenyl)naphthalene-2-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)naphthalene-2-carboxylic acid is sourced from PubChem (CID 171127461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).