3-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methylpropanoic acid

C15H20O3 — CID 117373999

IUPAC3-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methylpropanoic acid
SMILESCOc1ccc2c(c1CC(C)C(=O)O)CCCC2
InChIInChI=1S/C15H20O3/c1-10(15(16)17)9-13-12-6-4-3-5-11(12)7-8-14(13)18-2/h7-8,10H,3-6,9H2,1-2H3,(H,16,17)
InChIKeyCEWMHYKTSKTOIY-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.84
Rot. Bonds4

About 3-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methylpropanoic acid

3-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methylpropanoic acid (PubChem CID 117373999) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 3-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methylpropanoic acid
PubChem CID117373999
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name3-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methylpropanoic acid
SMILESCOc1ccc2c(c1CC(C)C(=O)O)CCCC2
InChIInChI=1S/C15H20O3/c1-10(15(16)17)9-13-12-6-4-3-5-11(12)7-8-14(13)18-2/h7-8,10H,3-6,9H2,1-2H3,(H,16,17)
InChIKeyCEWMHYKTSKTOIY-UHFFFAOYSA-N
XLogP2.84
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)methanol
CID 84674437
3-(2-bromo-6-methoxy-3-methylphenyl)-2-methylpropanoic acid
CID 84813954
3-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpropanoic acid
CID 117340695
1-[(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)methyl]cyclopropan-1-ol
CID 117368497
3-(6-methoxy-4H-1,3-benzodioxin-5-yl)-2-methylpropanoic acid
CID 117383598
3-(2-fluoro-3-hydroxy-6-methoxyphenyl)-2-methylpropanoic acid
CID 84792120
3-(3-chloro-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methylpropanoic acid
CID 117425398
(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)methanesulfonyl chloride
CID 117466523
3-[2,6-dimethoxy-3-(methoxymethyl)phenyl]-2-methylpropanoic acid
CID 117424467
N-methoxy-1-(5-methoxy-2,3-dihydro-1H-inden-4-yl)methanamine
CID 117296336
3-(2-hydroxy-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methylpropanoic acid
CID 117373995
2-methyl-5-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pentanoic acid
CID 112511655

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methylpropanoic acid?
The IUPAC name of 3-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methylpropanoic acid (CID 117373999) is 3-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methylpropanoic acid?
The canonical SMILES for 3-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methylpropanoic acid is COc1ccc2c(c1CC(C)C(=O)O)CCCC2.
What is the InChIKey of 3-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methylpropanoic acid?
The InChIKey is CEWMHYKTSKTOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-10(15(16)17)9-13-12-6-4-3-5-11(12)7-8-14(13)18-2/h7-8,10H,3-6,9H2,1-2H3,(H,16,17).
What are the key properties of 3-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methylpropanoic acid?
3-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methylpropanoic acid has a molecular weight of 248.32 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methylpropanoic acid is sourced from PubChem (CID 117373999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).