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

C13H16O3 — CID 116769560

IUPAC1-methoxy-4-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
SMILESCOC1(C(=O)O)CCC(C)c2ccccc21
InChIInChI=1S/C13H16O3/c1-9-7-8-13(16-2,12(14)15)11-6-4-3-5-10(9)11/h3-6,9H,7-8H2,1-2H3,(H,14,15)
InChIKeyNKFCPULYBHLSJC-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.51
Rot. Bonds2

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

1-methoxy-4-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid (PubChem CID 116769560) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-methoxy-4-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid.

Molecular Properties

Compound Name1-methoxy-4-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
PubChem CID116769560
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name1-methoxy-4-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
SMILESCOC1(C(=O)O)CCC(C)c2ccccc21
InChIInChI=1S/C13H16O3/c1-9-7-8-13(16-2,12(14)15)11-6-4-3-5-10(9)11/h3-6,9H,7-8H2,1-2H3,(H,14,15)
InChIKeyNKFCPULYBHLSJC-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-2,3-dihydroindene-1-carboxylic acid
CID 22367227
2-(1-hydroxy-4-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetic acid
CID 115420224
2-[1-(dimethylamino)-4-methyl-3,4-dihydro-2H-naphthalen-1-yl]acetic acid
CID 115420429
(1R,4S)-N,4-dimethyl-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxamide
CID 143660147
1-anilino-4-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide
CID 115418746
1-(aminomethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 115419502
(1R,4R)-4-ethyl-1,4-dimethyl-2,3-dihydro-1H-naphthalene
CID 97103179
1-(2,6-difluorophenyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 115419622
1-methoxy-3-methyl-2,3-dihydroindene-1-carbonitrile
CID 130570389
(4aS,9R,10aR)-9-methyl-4,9,10,10a-tetrahydro-1H-phenanthrene-4a-carboxylic acid
CID 125492833
(4aS,9R,10aS)-9-methyl-4,9,10,10a-tetrahydro-1H-phenanthrene-4a-carboxylic acid
CID 125492834
1-methylspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione
CID 113306025

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
The IUPAC name of 1-methoxy-4-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid (CID 116769560) is 1-methoxy-4-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid.
What is the SMILES notation for 1-methoxy-4-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
The canonical SMILES for 1-methoxy-4-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid is COC1(C(=O)O)CCC(C)c2ccccc21.
What is the InChIKey of 1-methoxy-4-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
The InChIKey is NKFCPULYBHLSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-9-7-8-13(16-2,12(14)15)11-6-4-3-5-10(9)11/h3-6,9H,7-8H2,1-2H3,(H,14,15).
What are the key properties of 1-methoxy-4-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
1-methoxy-4-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid has a molecular weight of 220.27 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid is sourced from PubChem (CID 116769560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).