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

C11H12O3 — CID 18518695

IUPAC1-hydroxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid
SMILESO=C(O)C1(O)CCCc2ccccc21
InChIInChI=1S/C11H12O3/c12-10(13)11(14)7-3-5-8-4-1-2-6-9(8)11/h1-2,4,6,14H,3,5,7H2,(H,12,13)
InChIKeyLXPBREXWDRGNSD-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.30
Rot. Bonds1

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

1-hydroxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid (PubChem CID 18518695) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 1-hydroxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid.

Molecular Properties

Compound Name1-hydroxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid
PubChem CID18518695
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name1-hydroxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid
SMILESO=C(O)C1(O)CCCc2ccccc21
InChIInChI=1S/C11H12O3/c12-10(13)11(14)7-3-5-8-4-1-2-6-9(8)11/h1-2,4,6,14H,3,5,7H2,(H,12,13)
InChIKeyLXPBREXWDRGNSD-UHFFFAOYSA-N
XLogP1.30
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
The IUPAC name of 1-hydroxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid (CID 18518695) is 1-hydroxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid.
What is the SMILES notation for 1-hydroxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
The canonical SMILES for 1-hydroxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid is O=C(O)C1(O)CCCc2ccccc21.
What is the InChIKey of 1-hydroxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
The InChIKey is LXPBREXWDRGNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c12-10(13)11(14)7-3-5-8-4-1-2-6-9(8)11/h1-2,4,6,14H,3,5,7H2,(H,12,13).
What are the key properties of 1-hydroxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
1-hydroxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid has a molecular weight of 192.21 g/mol, XLogP of 1.30, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid is sourced from PubChem (CID 18518695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).