3-methoxy-7,8-dihydronaphthalene-2-carboxylic acid

C12H12O3 — CID 12738480

IUPAC3-methoxy-7,8-dihydronaphthalene-2-carboxylic acid
SMILESCOc1cc2c(cc1C(=O)O)CCC=C2
InChIInChI=1S/C12H12O3/c1-15-11-7-9-5-3-2-4-8(9)6-10(11)12(13)14/h3,5-7H,2,4H2,1H3,(H,13,14)
InChIKeyAOFJDIXJRPXQND-UHFFFAOYSA-N
MW204.22 g/mol
LogP2.35
Rot. Bonds2

About 3-methoxy-7,8-dihydronaphthalene-2-carboxylic acid

3-methoxy-7,8-dihydronaphthalene-2-carboxylic acid (PubChem CID 12738480) has the molecular formula C12H12O3 and a molecular weight of 204.22 g/mol. Its IUPAC name is 3-methoxy-7,8-dihydronaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name3-methoxy-7,8-dihydronaphthalene-2-carboxylic acid
PubChem CID12738480
Molecular FormulaC12H12O3
Molecular Weight204.22 g/mol
Exact Mass204.08
IUPAC Name3-methoxy-7,8-dihydronaphthalene-2-carboxylic acid
SMILESCOc1cc2c(cc1C(=O)O)CCC=C2
InChIInChI=1S/C12H12O3/c1-15-11-7-9-5-3-2-4-8(9)6-10(11)12(13)14/h3,5-7H,2,4H2,1H3,(H,13,14)
InChIKeyAOFJDIXJRPXQND-UHFFFAOYSA-N
XLogP2.35
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 67783530
3-methoxy-5,6-dihydronaphthalene-2-carbaldehyde
CID 56680136
(3-methoxy-5,6-dihydronaphthalen-2-yl)methanol
CID 19841217
7-methoxy-1-methyl-2-oxo-3,4-dihydroquinoline-6-carboxylic acid
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2-ethyl-7-methoxy-3,4-dihydro-1H-isoquinoline-6-carboxylic acid
CID 83956831
6-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid
CID 57422331
6-methoxy-1-methyl-2-oxo-3,4-dihydroquinoline-7-carboxylic acid
CID 68935618
5-(1-hydroxycyclopropyl)-2,4-dimethoxybenzoic acid
CID 117348722
5-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-2-methoxybenzoic acid
CID 40789040
5-(1-hydroxy-2-methylpropan-2-yl)-2,4-dimethoxybenzoic acid
CID 117388809
5-(fluoromethyl)-2,4-dimethoxybenzoic acid
CID 84680158
5-bromo-4-(carboxymethyl)-2-methoxybenzoic acid
CID 67529429

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-7,8-dihydronaphthalene-2-carboxylic acid?
The IUPAC name of 3-methoxy-7,8-dihydronaphthalene-2-carboxylic acid (CID 12738480) is 3-methoxy-7,8-dihydronaphthalene-2-carboxylic acid.
What is the SMILES notation for 3-methoxy-7,8-dihydronaphthalene-2-carboxylic acid?
The canonical SMILES for 3-methoxy-7,8-dihydronaphthalene-2-carboxylic acid is COc1cc2c(cc1C(=O)O)CCC=C2.
What is the InChIKey of 3-methoxy-7,8-dihydronaphthalene-2-carboxylic acid?
The InChIKey is AOFJDIXJRPXQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O3/c1-15-11-7-9-5-3-2-4-8(9)6-10(11)12(13)14/h3,5-7H,2,4H2,1H3,(H,13,14).
What are the key properties of 3-methoxy-7,8-dihydronaphthalene-2-carboxylic acid?
3-methoxy-7,8-dihydronaphthalene-2-carboxylic acid has a molecular weight of 204.22 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-7,8-dihydronaphthalene-2-carboxylic acid is sourced from PubChem (CID 12738480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).