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

C11H10O3 — CID 121221275

IUPAC1-hydroxy-6-methoxy-1H-indene-2-carbaldehyde
SMILESCOc1ccc2c(c1)C(O)C(C=O)=C2
InChIInChI=1S/C11H10O3/c1-14-9-3-2-7-4-8(6-12)11(13)10(7)5-9/h2-6,11,13H,1H3
InChIKeyQNUPWFJHKSXCIL-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.32
Rot. Bonds2

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

1-hydroxy-6-methoxy-1H-indene-2-carbaldehyde (PubChem CID 121221275) has the molecular formula C11H10O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is 1-hydroxy-6-methoxy-1H-indene-2-carbaldehyde.

Molecular Properties

Compound Name1-hydroxy-6-methoxy-1H-indene-2-carbaldehyde
PubChem CID121221275
Molecular FormulaC11H10O3
Molecular Weight190.20 g/mol
Exact Mass190.06
IUPAC Name1-hydroxy-6-methoxy-1H-indene-2-carbaldehyde
SMILESCOc1ccc2c(c1)C(O)C(C=O)=C2
InChIInChI=1S/C11H10O3/c1-14-9-3-2-7-4-8(6-12)11(13)10(7)5-9/h2-6,11,13H,1H3
InChIKeyQNUPWFJHKSXCIL-UHFFFAOYSA-N
XLogP1.32
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-hydroxy-6-methyl-1H-indene-2-carbaldehyde
CID 121220884
8-methoxy-4-(4-methoxyphenyl)-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalene
CID 66651897
(2-formyl-5-methoxyphenyl)-methylborinic acid
CID 58916121
(2S,3S)-3-amino-2-hydroxy-5-methoxy-2,3-dihydroinden-1-one
CID 131859476
2-hydroxy-5-methoxyindene-1,3-dione
CID 139638113
(3S)-2-tert-butyl-3-hydroxy-5-methoxy-3H-isoindol-1-one
CID 97041575
2-tert-butyl-3-hydroxy-5-methoxy-3H-isoindol-1-one
CID 70699956
1-(6-methoxy-1H-inden-1-yl)ethanol
CID 90078900
(1S)-6-methoxy-3,3-dimethyl-1,2-dihydroinden-1-ol
CID 79837765
1-(4-chlorophenyl)-6-methoxy-2-methyl-1H-indene
CID 46867285
2-(2-hydroxy-2-methylpropoxy)-5-methoxybenzaldehyde
CID 60884654
3-[(1S)-7-methoxy-3-phenyl-1H-isochromen-1-yl]pentane-2,4-dione
CID 132550834

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-6-methoxy-1H-indene-2-carbaldehyde?
The IUPAC name of 1-hydroxy-6-methoxy-1H-indene-2-carbaldehyde (CID 121221275) is 1-hydroxy-6-methoxy-1H-indene-2-carbaldehyde.
What is the SMILES notation for 1-hydroxy-6-methoxy-1H-indene-2-carbaldehyde?
The canonical SMILES for 1-hydroxy-6-methoxy-1H-indene-2-carbaldehyde is COc1ccc2c(c1)C(O)C(C=O)=C2.
What is the InChIKey of 1-hydroxy-6-methoxy-1H-indene-2-carbaldehyde?
The InChIKey is QNUPWFJHKSXCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3/c1-14-9-3-2-7-4-8(6-12)11(13)10(7)5-9/h2-6,11,13H,1H3.
What are the key properties of 1-hydroxy-6-methoxy-1H-indene-2-carbaldehyde?
1-hydroxy-6-methoxy-1H-indene-2-carbaldehyde has a molecular weight of 190.20 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-6-methoxy-1H-indene-2-carbaldehyde is sourced from PubChem (CID 121221275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).