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

C14H18O3 — CID 117340695

IUPAC3-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpropanoic acid
SMILESCC(Cc1ccc2c(c1O)CCCC2)C(=O)O
InChIInChI=1S/C14H18O3/c1-9(14(16)17)8-11-7-6-10-4-2-3-5-12(10)13(11)15/h6-7,9,15H,2-5,8H2,1H3,(H,16,17)
InChIKeyKSOLRWYTVNRKQJ-UHFFFAOYSA-N
MW234.29 g/mol
LogP2.53
Rot. Bonds3

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

3-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpropanoic acid (PubChem CID 117340695) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is 3-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpropanoic acid
PubChem CID117340695
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name3-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpropanoic acid
SMILESCC(Cc1ccc2c(c1O)CCCC2)C(=O)O
InChIInChI=1S/C14H18O3/c1-9(14(16)17)8-11-7-6-10-4-2-3-5-12(10)13(11)15/h6-7,9,15H,2-5,8H2,1H3,(H,16,17)
InChIKeyKSOLRWYTVNRKQJ-UHFFFAOYSA-N
XLogP2.53
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methylpropanoic acid
CID 117373999
3-(3-bromo-2-hydroxy-4-methylphenyl)-2-methylpropanoic acid
CID 84713491
3-(3-chloro-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methylpropanoic acid
CID 117425398
2-(3-aminopropyl)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 117294086
3-(2-hydroxy-3-methoxy-4-methylphenyl)-2-methylpropanoic acid
CID 84689070
2-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 117282549
2-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propanoic acid
CID 43538421
2-methyl-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoic acid
CID 70167994
2-(5-propan-2-yl-2,3-dihydro-1H-inden-4-yl)acetic acid
CID 137443462
3-(2-hydroxy-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methylpropanoic acid
CID 117373995
2-[cyclopropyl-(1-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)amino]propanoic acid
CID 122067499
(2R)-3-(2,4-dimethylphenyl)-2-methylpropanoic acid
CID 96752041

Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpropanoic acid?
The IUPAC name of 3-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpropanoic acid (CID 117340695) is 3-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpropanoic acid?
The canonical SMILES for 3-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpropanoic acid is CC(Cc1ccc2c(c1O)CCCC2)C(=O)O.
What is the InChIKey of 3-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpropanoic acid?
The InChIKey is KSOLRWYTVNRKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-9(14(16)17)8-11-7-6-10-4-2-3-5-12(10)13(11)15/h6-7,9,15H,2-5,8H2,1H3,(H,16,17).
What are the key properties of 3-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpropanoic acid?
3-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpropanoic acid has a molecular weight of 234.29 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpropanoic acid is sourced from PubChem (CID 117340695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).