3-(2-hydroxy-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methylpropanoic acid

C15H20O3 — CID 117373995

IUPAC3-(2-hydroxy-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methylpropanoic acid
SMILESCc1cc(O)c(CC(C)C(=O)O)c2c1CCCC2
InChIInChI=1S/C15H20O3/c1-9-8-14(16)13(7-10(2)15(17)18)12-6-4-3-5-11(9)12/h8,10,16H,3-7H2,1-2H3,(H,17,18)
InChIKeyFWIZHOMUWZPKOE-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.84
Rot. Bonds3

About 3-(2-hydroxy-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methylpropanoic acid

3-(2-hydroxy-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methylpropanoic acid (PubChem CID 117373995) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 3-(2-hydroxy-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(2-hydroxy-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methylpropanoic acid
PubChem CID117373995
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name3-(2-hydroxy-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methylpropanoic acid
SMILESCc1cc(O)c(CC(C)C(=O)O)c2c1CCCC2
InChIInChI=1S/C15H20O3/c1-9-8-14(16)13(7-10(2)15(17)18)12-6-4-3-5-11(9)12/h8,10,16H,3-7H2,1-2H3,(H,17,18)
InChIKeyFWIZHOMUWZPKOE-UHFFFAOYSA-N
XLogP2.84
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-hydroxy-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)propanoic acid
CID 117340668
3-(3-chloro-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methylpropanoic acid
CID 117425398
3-(2-hydroxy-4,5-dimethylphenyl)-2-methylpropanoic acid
CID 131600841
(2S)-3-(4-carbamoyl-2,6-dimethylphenyl)-2-methylpropanoic acid
CID 25418834
1-(4-aminobutyl)-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 117339349
3-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methylpropanoic acid
CID 117373999
3-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpropanoic acid
CID 117340695
3-(4-bromo-2-hydroxy-3,6-dimethylphenyl)-2-methylpropanoic acid
CID 117463133
3-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)-2-methylpropanoic acid
CID 117442454
(2R)-3-(3,4-dimethylphenyl)-2-methylpropanoic acid
CID 94240670
3-(2-hydroxy-5-methoxy-4-methylphenyl)-2-methylpropanoic acid
CID 117321917
3-(4-hydroxy-5-methoxy-2-methylphenyl)-2-methylpropanoic acid
CID 105423407

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methylpropanoic acid?
The IUPAC name of 3-(2-hydroxy-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methylpropanoic acid (CID 117373995) is 3-(2-hydroxy-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(2-hydroxy-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methylpropanoic acid?
The canonical SMILES for 3-(2-hydroxy-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methylpropanoic acid is Cc1cc(O)c(CC(C)C(=O)O)c2c1CCCC2.
What is the InChIKey of 3-(2-hydroxy-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methylpropanoic acid?
The InChIKey is FWIZHOMUWZPKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-9-8-14(16)13(7-10(2)15(17)18)12-6-4-3-5-11(9)12/h8,10,16H,3-7H2,1-2H3,(H,17,18).
What are the key properties of 3-(2-hydroxy-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methylpropanoic acid?
3-(2-hydroxy-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methylpropanoic acid has a molecular weight of 248.32 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methylpropanoic acid is sourced from PubChem (CID 117373995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).