2-(5-hydroxy-2,3-dihydro-1H-inden-1-yl)acetaldehyde

C11H12O2 — CID 45098204

IUPAC2-(5-hydroxy-2,3-dihydro-1H-inden-1-yl)acetaldehyde
SMILESO=CCC1CCc2cc(O)ccc21
InChIInChI=1S/C11H12O2/c12-6-5-8-1-2-9-7-10(13)3-4-11(8)9/h3-4,6-8,13H,1-2,5H2
InChIKeyVHRQHPSVBBENMT-UHFFFAOYSA-N
MW176.22 g/mol
LogP2.01
Rot. Bonds2

About 2-(5-hydroxy-2,3-dihydro-1H-inden-1-yl)acetaldehyde

2-(5-hydroxy-2,3-dihydro-1H-inden-1-yl)acetaldehyde (PubChem CID 45098204) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is 2-(5-hydroxy-2,3-dihydro-1H-inden-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(5-hydroxy-2,3-dihydro-1H-inden-1-yl)acetaldehyde
PubChem CID45098204
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Name2-(5-hydroxy-2,3-dihydro-1H-inden-1-yl)acetaldehyde
SMILESO=CCC1CCc2cc(O)ccc21
InChIInChI=1S/C11H12O2/c12-6-5-8-1-2-9-7-10(13)3-4-11(8)9/h3-4,6-8,13H,1-2,5H2
InChIKeyVHRQHPSVBBENMT-UHFFFAOYSA-N
XLogP2.01
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(5-methyl-2,3-dihydro-1H-inden-1-yl)acetaldehyde
CID 105435841
methyl 2-[(1S)-5-hydroxy-2,3-dihydro-1H-inden-1-yl]acetate
CID 59590848
(1S)-1-amino-2,3-dihydro-1H-inden-5-ol;hydrochloride
CID 156588205
1-(methylaminomethyl)-2,3-dihydro-1H-inden-5-ol;hydrobromide
CID 71369533
1-(morpholin-4-ylmethyl)-2,3-dihydro-1H-inden-5-ol
CID 105493140
2-(4-chloro-2,3-dihydro-1H-inden-1-yl)acetaldehyde
CID 105448650
5-ethyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 22998647
5-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 105458041
2-[(1S)-5-(2,2-diethoxyethoxy)-2,3-dihydro-1H-inden-1-yl]acetaldehyde
CID 88970878
2-(5-hydroxy-1-methyl-2,3-dihydroindol-3-yl)acetaldehyde
CID 117202469
2-(5,6-dichloro-2,3-dihydro-1H-inden-1-yl)acetic acid
CID 123427549
2-(5,6-dihydro-4H-cyclopenta[b]thiophen-6-yl)acetaldehyde
CID 166794843

Frequently Asked Questions

What is the IUPAC name of 2-(5-hydroxy-2,3-dihydro-1H-inden-1-yl)acetaldehyde?
The IUPAC name of 2-(5-hydroxy-2,3-dihydro-1H-inden-1-yl)acetaldehyde (CID 45098204) is 2-(5-hydroxy-2,3-dihydro-1H-inden-1-yl)acetaldehyde.
What is the SMILES notation for 2-(5-hydroxy-2,3-dihydro-1H-inden-1-yl)acetaldehyde?
The canonical SMILES for 2-(5-hydroxy-2,3-dihydro-1H-inden-1-yl)acetaldehyde is O=CCC1CCc2cc(O)ccc21.
What is the InChIKey of 2-(5-hydroxy-2,3-dihydro-1H-inden-1-yl)acetaldehyde?
The InChIKey is VHRQHPSVBBENMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c12-6-5-8-1-2-9-7-10(13)3-4-11(8)9/h3-4,6-8,13H,1-2,5H2.
What are the key properties of 2-(5-hydroxy-2,3-dihydro-1H-inden-1-yl)acetaldehyde?
2-(5-hydroxy-2,3-dihydro-1H-inden-1-yl)acetaldehyde has a molecular weight of 176.22 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hydroxy-2,3-dihydro-1H-inden-1-yl)acetaldehyde is sourced from PubChem (CID 45098204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).