5-methoxy-2-methyl-3,4-dihydro-1H-naphthalene-2-carboxylic acid

C13H16O3 — CID 21350616

IUPAC5-methoxy-2-methyl-3,4-dihydro-1H-naphthalene-2-carboxylic acid
SMILESCOc1cccc2c1CCC(C)(C(=O)O)C2
InChIInChI=1S/C13H16O3/c1-13(12(14)15)7-6-10-9(8-13)4-3-5-11(10)16-2/h3-5H,6-8H2,1-2H3,(H,14,15)
InChIKeyPWEGGGPGDKUXTE-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.27
Rot. Bonds2

About 5-methoxy-2-methyl-3,4-dihydro-1H-naphthalene-2-carboxylic acid

5-methoxy-2-methyl-3,4-dihydro-1H-naphthalene-2-carboxylic acid (PubChem CID 21350616) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 5-methoxy-2-methyl-3,4-dihydro-1H-naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name5-methoxy-2-methyl-3,4-dihydro-1H-naphthalene-2-carboxylic acid
PubChem CID21350616
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name5-methoxy-2-methyl-3,4-dihydro-1H-naphthalene-2-carboxylic acid
SMILESCOc1cccc2c1CCC(C)(C(=O)O)C2
InChIInChI=1S/C13H16O3/c1-13(12(14)15)7-6-10-9(8-13)4-3-5-11(10)16-2/h3-5H,6-8H2,1-2H3,(H,14,15)
InChIKeyPWEGGGPGDKUXTE-UHFFFAOYSA-N
XLogP2.27
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-methyl-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 95566858
5-methoxy-3,3-dimethyl-2,4-dihydro-1H-naphthalene
CID 177395557
(5-methoxy-2-methyl-3,4-dihydro-1H-naphthalen-2-yl)methanamine
CID 84722148
1-hydroxy-4-methoxy-2,3-dihydroindene-1-carboxylic acid
CID 18518702
ethyl 2-[(2R)-2-hydroxy-5-methoxy-3,4-dihydro-1H-naphthalen-2-yl]acetate
CID 125113228
6-imidazol-1-yl-1-methoxy-5,7,8,9-tetrahydrobenzo[7]annulene-6-carboxylic acid
CID 166265102
methyl 2-amino-8-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylate
CID 58467113
[(2S)-2-benzamido-8-methoxy-3,4-dihydro-1H-naphthalen-2-yl] methyl carbonate
CID 67636605
5-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 12728224
(2S)-2-acetamido-5,8-dimethoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 13187696
5-fluoro-2-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 105481657
2-(4,7-dimethoxy-1-methyl-2,3-dihydroinden-1-yl)acetic acid
CID 82159660

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-methyl-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The IUPAC name of 5-methoxy-2-methyl-3,4-dihydro-1H-naphthalene-2-carboxylic acid (CID 21350616) is 5-methoxy-2-methyl-3,4-dihydro-1H-naphthalene-2-carboxylic acid.
What is the SMILES notation for 5-methoxy-2-methyl-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The canonical SMILES for 5-methoxy-2-methyl-3,4-dihydro-1H-naphthalene-2-carboxylic acid is COc1cccc2c1CCC(C)(C(=O)O)C2.
What is the InChIKey of 5-methoxy-2-methyl-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The InChIKey is PWEGGGPGDKUXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-13(12(14)15)7-6-10-9(8-13)4-3-5-11(10)16-2/h3-5H,6-8H2,1-2H3,(H,14,15).
What are the key properties of 5-methoxy-2-methyl-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
5-methoxy-2-methyl-3,4-dihydro-1H-naphthalene-2-carboxylic acid has a molecular weight of 220.27 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-methyl-3,4-dihydro-1H-naphthalene-2-carboxylic acid is sourced from PubChem (CID 21350616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).