1-hydroxy-6-methyl-1H-indene-2-carbaldehyde

C11H10O2 — CID 121220884

IUPAC1-hydroxy-6-methyl-1H-indene-2-carbaldehyde
SMILESCc1ccc2c(c1)C(O)C(C=O)=C2
InChIInChI=1S/C11H10O2/c1-7-2-3-8-5-9(6-12)11(13)10(8)4-7/h2-6,11,13H,1H3
InChIKeyRAVWLFJNULEJNO-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.62
Rot. Bonds1

About 1-hydroxy-6-methyl-1H-indene-2-carbaldehyde

1-hydroxy-6-methyl-1H-indene-2-carbaldehyde (PubChem CID 121220884) has the molecular formula C11H10O2 and a molecular weight of 174.20 g/mol. Its IUPAC name is 1-hydroxy-6-methyl-1H-indene-2-carbaldehyde.

Molecular Properties

Compound Name1-hydroxy-6-methyl-1H-indene-2-carbaldehyde
PubChem CID121220884
Molecular FormulaC11H10O2
Molecular Weight174.20 g/mol
Exact Mass174.07
IUPAC Name1-hydroxy-6-methyl-1H-indene-2-carbaldehyde
SMILESCc1ccc2c(c1)C(O)C(C=O)=C2
InChIInChI=1S/C11H10O2/c1-7-2-3-8-5-9(6-12)11(13)10(8)4-7/h2-6,11,13H,1H3
InChIKeyRAVWLFJNULEJNO-UHFFFAOYSA-N
XLogP1.62
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-6-methyl-1H-indene-2-carbaldehyde?
The IUPAC name of 1-hydroxy-6-methyl-1H-indene-2-carbaldehyde (CID 121220884) is 1-hydroxy-6-methyl-1H-indene-2-carbaldehyde.
What is the SMILES notation for 1-hydroxy-6-methyl-1H-indene-2-carbaldehyde?
The canonical SMILES for 1-hydroxy-6-methyl-1H-indene-2-carbaldehyde is Cc1ccc2c(c1)C(O)C(C=O)=C2.
What is the InChIKey of 1-hydroxy-6-methyl-1H-indene-2-carbaldehyde?
The InChIKey is RAVWLFJNULEJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O2/c1-7-2-3-8-5-9(6-12)11(13)10(8)4-7/h2-6,11,13H,1H3.
What are the key properties of 1-hydroxy-6-methyl-1H-indene-2-carbaldehyde?
1-hydroxy-6-methyl-1H-indene-2-carbaldehyde has a molecular weight of 174.20 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-6-methyl-1H-indene-2-carbaldehyde is sourced from PubChem (CID 121220884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).