1-hydroxy-5-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid

C12H14O3 — CID 83908872

IUPAC1-hydroxy-5-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
SMILESCc1cccc2c1CCCC2(O)C(=O)O
InChIInChI=1S/C12H14O3/c1-8-4-2-6-10-9(8)5-3-7-12(10,15)11(13)14/h2,4,6,15H,3,5,7H2,1H3,(H,13,14)
InChIKeyOQKMNODLZSKYEX-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.60
Rot. Bonds1

About 1-hydroxy-5-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid

1-hydroxy-5-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid (PubChem CID 83908872) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 1-hydroxy-5-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid.

Molecular Properties

Compound Name1-hydroxy-5-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
PubChem CID83908872
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name1-hydroxy-5-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
SMILESCc1cccc2c1CCCC2(O)C(=O)O
InChIInChI=1S/C12H14O3/c1-8-4-2-6-10-9(8)5-3-7-12(10,15)11(13)14/h2,4,6,15H,3,5,7H2,1H3,(H,13,14)
InChIKeyOQKMNODLZSKYEX-UHFFFAOYSA-N
XLogP1.60
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-5-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
The IUPAC name of 1-hydroxy-5-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid (CID 83908872) is 1-hydroxy-5-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid.
What is the SMILES notation for 1-hydroxy-5-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
The canonical SMILES for 1-hydroxy-5-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid is Cc1cccc2c1CCCC2(O)C(=O)O.
What is the InChIKey of 1-hydroxy-5-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
The InChIKey is OQKMNODLZSKYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-8-4-2-6-10-9(8)5-3-7-12(10,15)11(13)14/h2,4,6,15H,3,5,7H2,1H3,(H,13,14).
What are the key properties of 1-hydroxy-5-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
1-hydroxy-5-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid has a molecular weight of 206.24 g/mol, XLogP of 1.60, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-5-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid is sourced from PubChem (CID 83908872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).