8-methoxy-1-methyl-3,4-dihydronaphthalene-2-carboxylic acid

C13H14O3 — CID 115057450

IUPAC8-methoxy-1-methyl-3,4-dihydronaphthalene-2-carboxylic acid
SMILESCOc1cccc2c1C(C)=C(C(=O)O)CC2
InChIInChI=1S/C13H14O3/c1-8-10(13(14)15)7-6-9-4-3-5-11(16-2)12(8)9/h3-5H,6-7H2,1-2H3,(H,14,15)
InChIKeyKPSHOGFQCMLNCO-UHFFFAOYSA-N
MW218.25 g/mol
LogP2.50
Rot. Bonds2

About 8-methoxy-1-methyl-3,4-dihydronaphthalene-2-carboxylic acid

8-methoxy-1-methyl-3,4-dihydronaphthalene-2-carboxylic acid (PubChem CID 115057450) has the molecular formula C13H14O3 and a molecular weight of 218.25 g/mol. Its IUPAC name is 8-methoxy-1-methyl-3,4-dihydronaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name8-methoxy-1-methyl-3,4-dihydronaphthalene-2-carboxylic acid
PubChem CID115057450
Molecular FormulaC13H14O3
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Name8-methoxy-1-methyl-3,4-dihydronaphthalene-2-carboxylic acid
SMILESCOc1cccc2c1C(C)=C(C(=O)O)CC2
InChIInChI=1S/C13H14O3/c1-8-10(13(14)15)7-6-9-4-3-5-11(16-2)12(8)9/h3-5H,6-7H2,1-2H3,(H,14,15)
InChIKeyKPSHOGFQCMLNCO-UHFFFAOYSA-N
XLogP2.50
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-methoxy-1-methyl-3,4-dihydronaphthalene-2-carbaldehyde
CID 115057497
(8-methoxy-1-methyl-3,4-dihydronaphthalen-2-yl)methanamine
CID 115057448
2-(7-methoxy-2-methyl-3H-inden-1-yl)acetic acid
CID 22007114
5-methoxy-1-phenyl-3,4-dihydronaphthalene-2-carboxylic acid
CID 115057866
3-methoxy-2-(4-methylphenyl)benzoic acid
CID 22418016
4-[2-[3-[(2,3-dimethoxyphenyl)methylidene]-1,2-dihydroinden-4-yl]ethyl]benzoic acid
CID 174982065
5-methoxy-2-methyl-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 21350616
4-methoxy-5,6,7,8,9,10-hexahydrobenzo[8]annulene
CID 153201426
2-[3-methoxy-2-(4-methylphenyl)phenyl]acetic acid
CID 69228512
(2S)-8-methoxyspiro[3,4-dihydronaphthalene-2,2'-piperidine]-1-one
CID 129389972
(2S)-8-methoxy-3,4-dihydro-2H-chromene-2-carboxylic acid
CID 70128617
1-(2-methoxy-6-methylphenyl)cyclobutane-1-carboxylic acid
CID 84787409

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-1-methyl-3,4-dihydronaphthalene-2-carboxylic acid?
The IUPAC name of 8-methoxy-1-methyl-3,4-dihydronaphthalene-2-carboxylic acid (CID 115057450) is 8-methoxy-1-methyl-3,4-dihydronaphthalene-2-carboxylic acid.
What is the SMILES notation for 8-methoxy-1-methyl-3,4-dihydronaphthalene-2-carboxylic acid?
The canonical SMILES for 8-methoxy-1-methyl-3,4-dihydronaphthalene-2-carboxylic acid is COc1cccc2c1C(C)=C(C(=O)O)CC2.
What is the InChIKey of 8-methoxy-1-methyl-3,4-dihydronaphthalene-2-carboxylic acid?
The InChIKey is KPSHOGFQCMLNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O3/c1-8-10(13(14)15)7-6-9-4-3-5-11(16-2)12(8)9/h3-5H,6-7H2,1-2H3,(H,14,15).
What are the key properties of 8-methoxy-1-methyl-3,4-dihydronaphthalene-2-carboxylic acid?
8-methoxy-1-methyl-3,4-dihydronaphthalene-2-carboxylic acid has a molecular weight of 218.25 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-1-methyl-3,4-dihydronaphthalene-2-carboxylic acid is sourced from PubChem (CID 115057450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).