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

C12H14O — CID 105435841

IUPAC2-(5-methyl-2,3-dihydro-1H-inden-1-yl)acetaldehyde
SMILESCc1ccc2c(c1)CCC2CC=O
InChIInChI=1S/C12H14O/c1-9-2-5-12-10(6-7-13)3-4-11(12)8-9/h2,5,7-8,10H,3-4,6H2,1H3
InChIKeyRMPHROOTFQDTEE-UHFFFAOYSA-N
MW174.24 g/mol
LogP2.61
Rot. Bonds2

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

2-(5-methyl-2,3-dihydro-1H-inden-1-yl)acetaldehyde (PubChem CID 105435841) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is 2-(5-methyl-2,3-dihydro-1H-inden-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(5-methyl-2,3-dihydro-1H-inden-1-yl)acetaldehyde
PubChem CID105435841
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name2-(5-methyl-2,3-dihydro-1H-inden-1-yl)acetaldehyde
SMILESCc1ccc2c(c1)CCC2CC=O
InChIInChI=1S/C12H14O/c1-9-2-5-12-10(6-7-13)3-4-11(12)8-9/h2,5,7-8,10H,3-4,6H2,1H3
InChIKeyRMPHROOTFQDTEE-UHFFFAOYSA-N
XLogP2.61
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(5-hydroxy-2,3-dihydro-1H-inden-1-yl)acetaldehyde
CID 45098204
2-(7-methyl-3,4-dihydro-2H-chromen-4-yl)acetaldehyde
CID 87790896
ethyl 2-(5-methyl-2,3-dihydro-1H-inden-1-yl)acetate
CID 58565948
2-[(1S)-5-(2,2-diethoxyethoxy)-2,3-dihydro-1H-inden-1-yl]acetaldehyde
CID 88970878
5-methyl-1-[2-(4-methylphenyl)prop-2-enyl]-2,3-dihydro-1H-indene;methylsulfanylmethane;propane
CID 155718336
ethane;5-methyl-2,3-dihydro-1H-inden-1-amine;1,3-xylene
CID 162687970
2-(5,6-dihydro-4H-cyclopenta[b]thiophen-6-yl)acetaldehyde
CID 166794843
5-methyl-2,3-dihydro-1H-inden-1-amine;5-methyl-2,3-dihydroinden-1-one;hydrochloride
CID 67762900
2-(4-chloro-2,3-dihydro-1H-inden-1-yl)acetaldehyde
CID 105448650
2-amino-N-(5-methyl-2,3-dihydro-1H-inden-1-yl)acetamide;hydrochloride
CID 119302154
2-(3,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
CID 84622892
6-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-2-carbaldehyde
CID 139402521

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2,3-dihydro-1H-inden-1-yl)acetaldehyde?
The IUPAC name of 2-(5-methyl-2,3-dihydro-1H-inden-1-yl)acetaldehyde (CID 105435841) is 2-(5-methyl-2,3-dihydro-1H-inden-1-yl)acetaldehyde.
What is the SMILES notation for 2-(5-methyl-2,3-dihydro-1H-inden-1-yl)acetaldehyde?
The canonical SMILES for 2-(5-methyl-2,3-dihydro-1H-inden-1-yl)acetaldehyde is Cc1ccc2c(c1)CCC2CC=O.
What is the InChIKey of 2-(5-methyl-2,3-dihydro-1H-inden-1-yl)acetaldehyde?
The InChIKey is RMPHROOTFQDTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O/c1-9-2-5-12-10(6-7-13)3-4-11(12)8-9/h2,5,7-8,10H,3-4,6H2,1H3.
What are the key properties of 2-(5-methyl-2,3-dihydro-1H-inden-1-yl)acetaldehyde?
2-(5-methyl-2,3-dihydro-1H-inden-1-yl)acetaldehyde has a molecular weight of 174.24 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2,3-dihydro-1H-inden-1-yl)acetaldehyde is sourced from PubChem (CID 105435841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).