2-[(1R)-1-(3-methylnaphthalen-1-yl)ethyl]benzoic acid

C20H18O2 — CID 125468238

IUPAC2-[(1R)-1-(3-methylnaphthalen-1-yl)ethyl]benzoic acid
SMILESCc1cc([C@@H](C)c2ccccc2C(=O)O)c2ccccc2c1
InChIInChI=1S/C20H18O2/c1-13-11-15-7-3-4-9-17(15)19(12-13)14(2)16-8-5-6-10-18(16)20(21)22/h3-12,14H,1-2H3,(H,21,22)/t14-/m0/s1
InChIKeyIAGMXKQFDGOORB-AWEZNQCLSA-N
MW290.36 g/mol
LogP5.00
Rot. Bonds3

About 2-[(1R)-1-(3-methylnaphthalen-1-yl)ethyl]benzoic acid

2-[(1R)-1-(3-methylnaphthalen-1-yl)ethyl]benzoic acid (PubChem CID 125468238) has the molecular formula C20H18O2 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[(1R)-1-(3-methylnaphthalen-1-yl)ethyl]benzoic acid.

Molecular Properties

Compound Name2-[(1R)-1-(3-methylnaphthalen-1-yl)ethyl]benzoic acid
PubChem CID125468238
Molecular FormulaC20H18O2
Molecular Weight290.36 g/mol
Exact Mass290.13
IUPAC Name2-[(1R)-1-(3-methylnaphthalen-1-yl)ethyl]benzoic acid
SMILESCc1cc([C@@H](C)c2ccccc2C(=O)O)c2ccccc2c1
InChIInChI=1S/C20H18O2/c1-13-11-15-7-3-4-9-17(15)19(12-13)14(2)16-8-5-6-10-18(16)20(21)22/h3-12,14H,1-2H3,(H,21,22)/t14-/m0/s1
InChIKeyIAGMXKQFDGOORB-AWEZNQCLSA-N
XLogP5.00
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 ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(1S)-1-naphthalen-1-ylethyl]benzamide
CID 140522394
3-amino-4-[1-(2-carboxyphenyl)ethyl]benzoic acid
CID 126718740
3,4-dimethylnaphthalene-2-carboxylic acid
CID 163849681
2-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]benzoic acid
CID 853685
2-(1-hydroxy-2-methylpropyl)benzoic acid
CID 83388039
4-hydroxy-3-methylnaphthalene-2-carboxylic acid
CID 58932971
3-naphthalen-1-ylbutanoic acid
CID 43211329
2-methyl-3-(6-methylnaphthalen-1-yl)-3-oxopropanoic acid
CID 70479628
N-(3,5-dimethylphenyl)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9397108
phthalic acid;toluene
CID 174855044
2-[(1S)-1-[2-chloro-4-(hydroxymethyl)phenyl]ethyl]benzoic acid
CID 67432075
6-methylnaphthalene-1-carboxylic acid;6-methylnaphthalene-2-carboxylic acid;7-methylnaphthalene-2-carboxylic acid
CID 159162077

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-(3-methylnaphthalen-1-yl)ethyl]benzoic acid?
The IUPAC name of 2-[(1R)-1-(3-methylnaphthalen-1-yl)ethyl]benzoic acid (CID 125468238) is 2-[(1R)-1-(3-methylnaphthalen-1-yl)ethyl]benzoic acid.
What is the SMILES notation for 2-[(1R)-1-(3-methylnaphthalen-1-yl)ethyl]benzoic acid?
The canonical SMILES for 2-[(1R)-1-(3-methylnaphthalen-1-yl)ethyl]benzoic acid is Cc1cc([C@@H](C)c2ccccc2C(=O)O)c2ccccc2c1.
What is the InChIKey of 2-[(1R)-1-(3-methylnaphthalen-1-yl)ethyl]benzoic acid?
The InChIKey is IAGMXKQFDGOORB-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H18O2/c1-13-11-15-7-3-4-9-17(15)19(12-13)14(2)16-8-5-6-10-18(16)20(21)22/h3-12,14H,1-2H3,(H,21,22)/t14-/m0/s1.
What are the key properties of 2-[(1R)-1-(3-methylnaphthalen-1-yl)ethyl]benzoic acid?
2-[(1R)-1-(3-methylnaphthalen-1-yl)ethyl]benzoic acid has a molecular weight of 290.36 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-(3-methylnaphthalen-1-yl)ethyl]benzoic acid is sourced from PubChem (CID 125468238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).