(2S)-7-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid

C12H14O3 — CID 10632089

IUPAC(2S)-7-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
SMILESCOc1ccc2c(c1)C[C@@H](C(=O)O)CC2
InChIInChI=1S/C12H14O3/c1-15-11-5-4-8-2-3-9(12(13)14)6-10(8)7-11/h4-5,7,9H,2-3,6H2,1H3,(H,13,14)/t9-/m0/s1
InChIKeyZDULJHJAQFHUJX-VIFPVBQESA-N
MW206.24 g/mol
LogP1.88
Rot. Bonds2

About (2S)-7-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid

(2S)-7-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid (PubChem CID 10632089) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is (2S)-7-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-7-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
PubChem CID10632089
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name(2S)-7-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
SMILESCOc1ccc2c(c1)C[C@@H](C(=O)O)CC2
InChIInChI=1S/C12H14O3/c1-15-11-5-4-8-2-3-9(12(13)14)6-10(8)7-11/h4-5,7,9H,2-3,6H2,1H3,(H,13,14)/t9-/m0/s1
InChIKeyZDULJHJAQFHUJX-VIFPVBQESA-N
XLogP1.88
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl (2R)-7-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 129389823
methyl (2R)-6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 22882753
6-acetyloxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 13439064
2-hydroxy-2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetic acid
CID 115511253
7-[[1-hydroxy-5-[(4-methoxyphenyl)methylamino]-1H-pyrrol-1-ium-3-yl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 143482601
7-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene;hydrochloride
CID 19889857
ethyl 2-hydroxy-2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate
CID 113325923
2-[cyclopropyl-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetic acid
CID 115511160
(3S)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 7061285
1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)azetidine-3-carboxylic acid
CID 79368867
2-[ethyl-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetic acid
CID 115511171
ethane;6-methoxy-2,3-dihydro-1H-indene-1-carboxylic acid
CID 142283526

Frequently Asked Questions

What is the IUPAC name of (2S)-7-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid?
The IUPAC name of (2S)-7-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid (CID 10632089) is (2S)-7-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid.
What is the SMILES notation for (2S)-7-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid?
The canonical SMILES for (2S)-7-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid is COc1ccc2c(c1)C[C@@H](C(=O)O)CC2.
What is the InChIKey of (2S)-7-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid?
The InChIKey is ZDULJHJAQFHUJX-VIFPVBQESA-N. The full InChI is InChI=1S/C12H14O3/c1-15-11-5-4-8-2-3-9(12(13)14)6-10(8)7-11/h4-5,7,9H,2-3,6H2,1H3,(H,13,14)/t9-/m0/s1.
What are the key properties of (2S)-7-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid?
(2S)-7-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid has a molecular weight of 206.24 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-7-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid is sourced from PubChem (CID 10632089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).