2-(2,3-dihydro-1H-inden-5-yloxy)propanal

C12H14O2 — CID 126971637

IUPAC2-(2,3-dihydro-1H-inden-5-yloxy)propanal
SMILESCC(C=O)Oc1ccc2c(c1)CCC2
InChIInChI=1S/C12H14O2/c1-9(8-13)14-12-6-5-10-3-2-4-11(10)7-12/h5-9H,2-4H2,1H3
InChIKeyFHZRCQUWLBZMJA-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.14
Rot. Bonds3

About 2-(2,3-dihydro-1H-inden-5-yloxy)propanal

2-(2,3-dihydro-1H-inden-5-yloxy)propanal (PubChem CID 126971637) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yloxy)propanal.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yloxy)propanal
PubChem CID126971637
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name2-(2,3-dihydro-1H-inden-5-yloxy)propanal
SMILESCC(C=O)Oc1ccc2c(c1)CCC2
InChIInChI=1S/C12H14O2/c1-9(8-13)14-12-6-5-10-3-2-4-11(10)7-12/h5-9H,2-4H2,1H3
InChIKeyFHZRCQUWLBZMJA-UHFFFAOYSA-N
XLogP2.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2,3-dihydro-1H-inden-5-yloxy)-3-methylbutanamide
CID 82041277
3-(2,3-dihydro-1H-inden-5-yloxy)butan-2-amine
CID 61354580
2,3-dihydro-1H-inden-5-yl N-propan-2-ylcarbamate
CID 127549123
4-(2,3-dihydro-1H-inden-5-yloxy)pentan-2-ol
CID 64719056
2-(2,3-dihydro-1H-inden-5-yloxy)-3-methylbutan-1-amine
CID 62459614
2-(2,3-dihydro-1H-inden-5-yloxy)-1-(4-methylphenyl)propan-1-one
CID 43411837
2,3-dihydro-1H-inden-5-yl 2-amino-3-methylbutanoate
CID 82116252
6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalene
CID 82076236
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 55093056
N'-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanimidamide
CID 76914985
5-[(1S)-1-(3-nitrophenyl)ethoxy]-2,3-dihydro-1H-indene
CID 9354137
4-(2,3-dihydro-1H-inden-5-yloxy)-N-methylpentan-1-amine
CID 62460723

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)propanal?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)propanal (CID 126971637) is 2-(2,3-dihydro-1H-inden-5-yloxy)propanal.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yloxy)propanal?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yloxy)propanal is CC(C=O)Oc1ccc2c(c1)CCC2.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yloxy)propanal?
The InChIKey is FHZRCQUWLBZMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-9(8-13)14-12-6-5-10-3-2-4-11(10)7-12/h5-9H,2-4H2,1H3.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yloxy)propanal?
2-(2,3-dihydro-1H-inden-5-yloxy)propanal has a molecular weight of 190.24 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yloxy)propanal is sourced from PubChem (CID 126971637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).